SCHEMBL437664

SCHEMBL437664

CCOC(=O)CC(C)(C#N)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.53
ESR2 Q92731 5/20 0.53
KMT2A Q03164 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CHRM2 P08172 2/20 0.39
MIF P14174 3/20 0.38
HSD11B1 P28845 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.36
MEN1 O00255 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
SCHEMBL988620 0.87 POLB (0.47) KMT2AHSD11B1POLBALDH1A1KDM4E
SCHEMBL2304250 0.80 KMT2A (0.49) ESR1ESR2KMT2ACA12CA1
SCHEMBL11494029 0.78 KMT2A (0.47) ESR1ESR2KMT2ACA12CA1
SCHEMBL31316615 0.76 SMN1; SMN2 (0.41) KMT2AALDH1A1KDM4ENPC1GAA
SCHEMBL682897 0.76 ESR1 (0.68) ESR1ESR2KMT2AALDH1A1CYP3A4
SCHEMBL11662521 0.74 NLRP3 (0.44) KMT2AHSD11B1POLBALDH1A1KDM4E
SCHEMBL24207141 0.73 MAPT (0.41) ESR1ESR2KMT2APOLBALDH1A1
SCHEMBL11816736 0.73 CYP2C19 (0.40) KMT2AHSD11B1ALDH1A1KDM4ENPC1
SCHEMBL10390700 0.73 ESR1 (0.64) ESR1ESR2ALDH1A1CYP3A4
SCHEMBL29983875 0.72 POLB (0.51) KMT2AHSD11B1POLBALDH1A1MEN1

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 5 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
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 ESR1 231/4885ESR2 183/4885KMT2A 3880/4885

“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.