SCHEMBL16050638

SCHEMBL16050638

CCCCCc1cc(CCCCC)c(O)c(CC(=O)[O-])c1.[Na+]

nearest known ligand 0.69

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 known ✓ P35354 7/20 0.46
▸ ALOX5 known ✓ P09917 4/20 0.41
▸ GPR84 Q9NQS5 2/20 0.69
▸ CYP3A4 P08684 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ KAT8 Q9H7Z6 2/20 0.39
▸ FUT7 Q11130 1/20 0.39
▸ PPARA Q07869 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29700748 1.00 GPR84 (0.69) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL17678365 0.85 GPR84 (0.53) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL29555599 0.84 ALDH1A1 (0.56) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL16050413 0.84 ALDH1A1 (0.56) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL19166809 0.84 GPR84 (0.51) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL17678366 0.84 GPR84 (0.51) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL17672982 0.84 GPR84 (0.67) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL1160403 0.83 PTGS2 (0.63) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL25346230 0.83 GPR84 (0.50) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL19166230 0.83 PTGS2 (0.50) GPR84PTGS2CYP3A4ALDH1A1ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF PHARMACEUTIQUE INGENEW INC. (CA) 2024-02-08 — — US disclosed
EP-4225724-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Pharmaceutique Ingenew Inc. (CA) 2023-08-16 — — EP disclosed
CN-116568291-A Substituted aromatic compounds and pharmaceutical compositions thereof 殷格纽制药有限公司 2023-08-08 — — CN disclosed
US-11524930-B2 Substituted aromatic compounds and related method for the treatment of fibrosis Liminal Biosciences Limited (GB) 2022-12-13 — — US disclosed
WO-2022073115-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF BIOPHARMACEUTIQUES INGENEW INC. (CA) 2022-04-14 — — WO disclosed
CN-110105200-B Substituted aromatic compounds for treating fibrosis and related methods 里米诺生物科学有限公司 2022-04-12 — — CN disclosed
US-11185521-B2 Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of osteoporosis Liminal Biosciences Limited (GB) 2021-11-30 — — US disclosed
CN-107106526-B Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration 普罗米蒂克医药SMT有限公司 2021-05-28 — — CN disclosed
CN-106999458-B Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of diabetes 普罗米蒂克医药SMT有限公司 2021-04-13 — — CN disclosed
US-20210085626-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION LIMINAL BIOSCIENCES LTD (GB) 2021-03-25 — — US disclosed
CN-106999456-A substituted aromatic compounds and pharmaceutical composition for preventing and treating osteoporosis 普罗米蒂克医药SMT有限公司 2017-08-01 — — CN disclosed
CN-106999458-A Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of diabetes 普罗米蒂克医药SMT有限公司 2017-08-01 — — CN disclosed
US-20170209399-A1 Substituted Aromatic Compounds and Pharmaceutical Compositions For The Prevention And Treatment Of Diabetes PROMETIC PHARMA SMT LIMITED (GB) 2017-07-27 — — US disclosed
WO-2016074068-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION PROMETIC BIOSCIENCES INC. (CA) 2016-05-19 — — WO disclosed
WO-2016054728-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS PROMETIC BIOSCIENCES INC. (CA) 2016-04-14 — — WO disclosed
WO-2016054726-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF DIABETES PROMETIC BIOSCIENCES INC. (CA) 2016-04-14 — — WO disclosed
US-20160039736-A1 Substituted Aromatic Compounds and Related Method for the Treatment of Fibrosis Liminal Biosciences Limited (GB) 2016-02-11 — — US disclosed
EP-2970089-A1 SUBSTITUTED AROMATIC COMPOUNDS AND RELATED METHOD FOR THE TREATMENT OF FIBROSIS ProMetic BioSciences Inc. (CA) 2016-01-20 — — EP disclosed
CN-105189438-A Substituted aromatic compounds for treating fibrosis and related methods PROMETIC BIOSCIENCES INC 2015-12-23 — — CN disclosed
WO-2014138906-A1 SUBSTITUTED AROMATIC COMPOUNDS AND RELATED METHOD FOR THE TREATMENT OF FIBROSIS PROMETIC BIOSCIENCES INC. (CA) 2014-09-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210085626-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION COL1A1, CCNH, COL2A1 PTGS2 322/4885ALOX5 1125/4885GPR84 1983/4885
US-11524930-B2 Substituted aromatic compounds and related method for the treatment of fibrosis CFH, C5, C9 PTGS2 2040/4885ALOX5 496/4885GPR84 1802/4885
US-20240043372-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF NR1H4, NR1H2, NR1H3 PTGS2 1129/4885ALOX5 1470/4885GPR84 421/4885
US-20160039736-A1 Substituted Aromatic Compounds and Related Method for the Treatment of Fibrosis CFH, C9, C5 PTGS2 2200/4885ALOX5 983/4885GPR84 2045/4885
US-20170209399-A1 Substituted Aromatic Compounds and Pharmaceutical Compositions For The Prevention And Treatment Of Diabetes GPR119, LIPC, INSR PTGS2 2425/4885ALOX5 1146/4885GPR84 1382/4885
US-11185521-B2 Substituted aromatic compounds and pharmaceutical compositions for the prevention and treatment of osteoporosis ADIPOR1, ADIPOR2, FN1 PTGS2 2609/4885ALOX5 565/4885GPR84 632/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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