SCHEMBL321981

SCHEMBL321981

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)[O-].[Na+]

nearest known ligand 0.96

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 19)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.96
CA1 known ✓ P00915 2/20 0.63
NFKB1 P19838 3/20 0.67
CYP3A4 P08684 2/20 0.67
TSHR P16473 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
GPR84 Q9NQS5 4/20 0.55
GRIK1 P39086 2/20 0.48
GRIK2 Q13002 2/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46

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
SCHEMBL15387978 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL5496573 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL4254221 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL1963319 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL15387890 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL15387941 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL6608444 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL689372 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL15387920 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL5704847 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080093-A Compounds effective in treating liver toxicity and fatty liver disease and uses thereof 2026-05-26 CN claimed
US-20260115155-A1 STABLE FORMS OF CAPSAICIN PALMITATE FOR THE TREATMENT OF PAIN CHORDA PHARMA INC (US) 2026-04-30 US claimed
CN-117404060-A Analysis method for judging oil well blockage reason and composite blockage removing liquid thereof 中国石油天然气集团有限公司 2024-01-16 CN claimed
CN-116133639-A Formulations and methods for treating inflammatory diseases 维奥梅治疗公司 2023-05-16 CN claimed
US-20230144779-A1 FORMULATIONS AND METHOD FOR TREATMENT OF INFLAMMATORY DISEASES VYOME THERAPEUTICS INC. (US) 2023-05-11 US claimed
CN-115058137-A Photocuring stainless steel powder slurry 扬州海昌新材股份有限公司 2022-09-16 CN claimed
WO-2021124301-A1 FORMULATIONS AND METHOD FOR TREATMENT OF INFLAMMATORY DISEASES VYOME THERAPEUTICS INC. (US) 2021-06-24 WO claimed
CN-109419779-B Sotalol hydrochloride preparation 鲁南制药集团股份有限公司 2021-05-25 CN claimed
CN-106009778-B A kind of dedicated bloom anti-impact wet method super-fine raw powder's production technology of appliance shell material 江西广源化工有限责任公司 2019-05-31 CN claimed
CN-109419779-A A kind of Betapace 鲁南制药集团股份有限公司 2019-03-05 CN claimed
CN-104274551-A Potentilla anserine and herpetospermum seed chewable tablet and preparation method thereof SUZHOU TIANLING CHINESE TRADITIONAL MEDICINE SLICE CO LTD 2015-01-14 CN claimed
CN-104274705-A Sobering and liver protecting chewable tablet and preparation method thereof SUZHOU TIANLING CHINESE TRADITIONAL MEDICINE SLICE CO LTD 2015-01-14 CN claimed
US-20090197855-A1 PHARMACEUTICAL COMPOSITIONS OF CEFDINIR LUPIN LIMITED (IN) 2009-08-06 US claimed
US-20090082325-A1 Cefidinir Oral Suspension ABBOTT LABORATORIES (US) 2009-03-26 US claimed
US-20080139528-A1 Cefdinir oral suspension ABBOTT LABORATORIES 2008-06-12 US claimed
WO-2007125541-A1 PHARMACEUTICAL COMPOSITIONS OF CEFDINIR LUPIN LIMITED (IN) 2007-11-08 WO claimed
US-20070249576-A1 Cefdinir Oral Suspension PUJARA CHETAN P 2007-10-25 US claimed
EP-1708681-A1 CEFDINIR ORAL SUSPENSION ABBOTT LABORATORIES (US) 2006-10-11 EP claimed
WO-2005060936-A1 CEFDINIR ORAL SUSPENSION ABBOTT LABORATORIES (US) 2005-07-07 WO claimed
US-20050131079-A1 Cefdinir oral suspension ABBOTT LABORATORIES 2005-06-16 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20230144779-A1 FORMULATIONS AND METHOD FOR TREATMENT OF INFLAMMATORY DISEASES UACA, TNF, TPMT CA2 266/4885CA1 1526/4885NFKB1 155/4885
US-20260115155-A1 STABLE FORMS OF CAPSAICIN PALMITATE FOR THE TREATMENT OF PAIN TRPV1, SPTLC3, FFAR3 CA2 530/4885CA1 1707/4885NFKB1 860/4885

“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.