SCHEMBL434016

SCHEMBL434016

COC(=O)CC(C#N)c1ccc(OCc2ccc(OCC(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49
FFAR1 O14842 7/20 0.48
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
MAOB P27338 1/20 0.46
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL10259320 0.87 FFAR1 (0.56) SMN1; SMN2FFAR1ALDH1A1HTTMAOB
SCHEMBL15239589 0.87 FFAR1 (0.56) SMN1; SMN2FFAR1ALDH1A1HTTMAOB
SCHEMBL15239048 0.86 FFAR1 (0.48) RAB9ASMN1; SMN2NPC1MAPTFFAR1
SCHEMBL15239047 0.86 FFAR1 (0.48) RAB9ASMN1; SMN2NPC1MAPTFFAR1
SCHEMBL22668050 0.86 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL10260737 0.82 MAOB (0.52) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL14886862 0.81 FFAR1 (0.48) FFAR1MAOB
SCHEMBL14886948 0.80 FFAR1 (0.55) SMN1; SMN2FFAR1ALDH1A1HTTMAOB
SCHEMBL22668104 0.80 FFAR1 (0.55) SMN1; SMN2FFAR1ALDH1A1HTTKMT2A
SCHEMBL15239474 0.80 FFAR1 (0.55) RAB9ASMN1; SMN2NPC1FFAR1MAOB

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 9 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-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-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 RAB9A 2043/4885SMN1; SMN2 2796/4885NPC1 513/4885

“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.