SCHEMBL2495583

SCHEMBL2495583

CCn1cc(C)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.36
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
TPMT P51580 1/20 0.35
DNM1L O00429 3/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL22066872 0.85 TYR (0.42) GPR35KDM4EALDH1A1MAPTPOLB
SCHEMBL6419416 0.79 MAPT (0.39) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL874860 0.78 GPR35 (0.38) GPR35KDM4EALDH1A1POLBCA12
SCHEMBL780340 0.78 GPR35 (0.38) GPR35KDM4EALDH1A1MAPTPOLB
SCHEMBL29190982 0.77 GPR35 (0.37) GPR35KDM4EALDH1A1POLBCA12
SCHEMBL7052816 0.76 MAOA (0.36) GPR35KDM4EALDH1A1MAPTCA12
SCHEMBL13617348 0.76 LMNA (0.42) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL16372656 0.76 GPR35 (0.36) GPR35KDM4EALDH1A1POLBCA12
SCHEMBL12583910 0.74 CCR2 (0.47) GPR35KDM4EALDH1A1MAPTPOLB
SCHEMBL10993592 0.73 KDM4E (0.40) KDM4EALDH1A1MAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11365190-B2 Heterocyclic amides useful as protein modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-06-21 US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-20210139473-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
US-10975287-B2 Heterocyclic amides useful as protein modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-04-13 US disclosed
US-20200325126-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-15 US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
EP-3440072-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-01-29 EP disclosed
US-9562036-B2 Fluoromethyl-substituted pyrrole carboxamides as CaV2.2 calcium channel blockers Grünenthal GmbH (DE) 2017-02-07 US disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP disclosed
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-04 US 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 (9 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 GPR35 258/4885KDM4E 491/4885ALDH1A1 1007/4885
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 GPR35 98/4885KDM4E 842/4885ALDH1A1 575/4885
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors ADRB1, ADRB2, ADRA1A GPR35 116/4885KDM4E 3308/4885ALDH1A1 1022/4885
US-11365190-B2 Heterocyclic amides useful as protein modulators RB1, RBBP5, RCC2 GPR35 2556/4885KDM4E 2480/4885ALDH1A1 3511/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 GPR35 92/4885KDM4E 791/4885ALDH1A1 527/4885
US-20200325126-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS ARGLU1, G3BP1, G3BP2 GPR35 1178/4885KDM4E 2147/4885ALDH1A1 3445/4885
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G GPR35 387/4885KDM4E 808/4885ALDH1A1 3161/4885
US-10975287-B2 Heterocyclic amides useful as protein modulators ARGLU1, G3BP1, G3BP2 GPR35 1178/4885KDM4E 2147/4885ALDH1A1 3445/4885
US-20210139473-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS RB1, RBBP5, RCC2 GPR35 2556/4885KDM4E 2480/4885ALDH1A1 3511/4885

“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.