SCHEMBL435332

SCHEMBL435332

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.51
ESR2 Q92731 11/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ESRRB O95718 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
SCHEMBL14886863 1.00 ESR1 (0.51) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL31467205 0.87 HTT (0.48) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL30529996 0.86 L3MBTL1 (0.46) KMT2AALDH1A1HTTMAPTRAB9A
SCHEMBL27904916 0.85 KCNA5 (0.47) KMT2AALDH1A1HTTMAPTRAB9A
SCHEMBL27862776 0.85 KCNA5 (0.47) KMT2AALDH1A1HTTMAPTRAB9A
SCHEMBL27879125 0.85 KCNA5 (0.47) KMT2AALDH1A1HTTMAPTRAB9A
SCHEMBL14880195 0.84 ESR1 (0.49) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL14886857 0.84 ESR1 (0.51) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL10536471 0.83 FFAR1 (0.47) ESR2KMT2AALDH1A1MEN1HTT
SCHEMBL3401941 0.83 ESR1 (0.55) ESR1ESR2

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 13 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
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-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US 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
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 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-2013057743-A1 PROCESS FOR THE PREPARATION OF AN ARYL OXIME AND SALTS THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD (IN) 2013-04-25 WO disclosed
WO-2013057743-A1 PROCESS FOR THE PREPARATION OF AN ARYL OXIME AND SALTS THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD (IN) 2013-04-25 WO disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO 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.