SCHEMBL435719

SCHEMBL435719

COC(=O)CCc1ccc(O)cc1CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
EGFR P00533 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MIF P14174 1/20 0.37
ESR1 P03372 1/20 0.36

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
SCHEMBL4616924 0.83 ALDH1A1 (0.43) ALDH1A1EGFRKDM4EGLAGAA
SCHEMBL437234 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EGLAGAAPOLB
SCHEMBL14110344 0.81 HMGCR (0.43) ALDH1A1EGFRKDM4EGLAGAA
SCHEMBL14110330 0.81 ALDH1A1 (0.42) ALDH1A1EGFRKDM4EGLAGAA
SCHEMBL29904573 0.79 TYR (0.57) POLB
SCHEMBL4942431 0.79 TYR (0.57) POLB
SCHEMBL433147 0.77 KDM4E (0.43) ALDH1A1KDM4EGLAGAAPOLB
SCHEMBL5034496 0.76 BACE1 (0.48) ALDH1A1EGFRKDM4EHSD17B10
SCHEMBL3659525 0.76 ALDH1A1 (0.43) ALDH1A1EGFRKDM4EGLAGAA
SCHEMBL435484 0.76 F2 (0.49) POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
CN-103228622-B The agonist of GPR40 CONNEXIOS LIFE SCIENCES Pvt.,Ltd. (IN) 2016-01-20 CN disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 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 (1 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 ALDH1A1 2410/4885EGFR 2302/4885KDM4E 3722/4885

“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.