SCHEMBL433532

SCHEMBL433532

COC(=O)CC(c1ccc(O)cc1)c1c(C)noc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AGTR1 P30556 1/20 0.38
KCNA5 P22460 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CTSA P10619 1/20 0.37
HTT P42858 3/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NPY2R P49146 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL434045 0.87 GAA (0.45) ALDH1A1L3MBTL1GAAMAPTKDM4E
SCHEMBL17386191 0.77 KLK7 (0.39) ALDH1A1GAAKDM4EKCNA5CYP2C19
SCHEMBL17386189 0.77 KLK7 (0.39) ALDH1A1GAAKDM4EKCNA5CYP2C19
SCHEMBL22668495 0.76 MAPT (0.43) L3MBTL1GAAMAPTPOLBCYP3A4
SCHEMBL10260647 0.74 FFAR1 (0.51) L3MBTL1GAAMAPTPOLBCYP3A4
SCHEMBL12348760 0.74 FFAR1 (0.41) ALDH1A1MAPTKCNA5HTTPOLB
SCHEMBL432742 0.74 FFAR1 (0.41) ALDH1A1MAPTKCNA5HTTPOLB
SCHEMBL13318307 0.72 POLB (0.39) ALDH1A1L3MBTL1GAAMAPTKCNA5
SCHEMBL13318309 0.72 POLB (0.39) ALDH1A1L3MBTL1GAAMAPTKCNA5
SCHEMBL14286213 0.72 POLB (0.39) ALDH1A1L3MBTL1GAAMAPTKCNA5

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 11 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
CN-103228622-A Agonists of gpr40 CONNEXIOS LIFE SCIENCES PVT LTD 2013-07-31 CN 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
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 2410/4885L3MBTL1 4507/4885GAA 1970/4885

“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.