SCHEMBL435228

SCHEMBL435228

COC(=O)CCc1ccc(OCc2cccc(C(=O)c3ccccc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
MRGPRX4 Q96LA9 3/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 2/20 0.56
PKM P14618 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
FFAR4 Q5NUL3 5/20 0.56
AKR1B1 P15121 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
SRD5A2 P31213 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL1747202 0.90 SMN1; SMN2 (0.67) FFAR1SMN1; SMN2RAB9AFFAR4ALDH1A1
SCHEMBL1745739 0.88 FFAR1 (0.55) FFAR1SMN1; SMN2MRGPRX4RAB9ATP53
SCHEMBL1745339 0.88 FFAR1 (0.62) FFAR1FFAR4AKR1B1
SCHEMBL435227 0.88 FFAR1 (0.74) FFAR1FFAR4AKR1B1
SCHEMBL1745369 0.86 FFAR1 (0.76) FFAR1FFAR4AKR1B1
SCHEMBL15239169 0.86 FFAR1 (0.53) FFAR1SMN1; SMN2MRGPRX4RAB9ATP53
SCHEMBL15239494 0.86 FFAR1 (0.53) FFAR1SMN1; SMN2MRGPRX4RAB9ATP53
SCHEMBL433987 0.86 FFAR1 (0.53) FFAR1SMN1; SMN2MRGPRX4RAB9ATP53
SCHEMBL1745247 0.86 FFAR1 (0.72) FFAR1SMN1; SMN2RAB9AFFAR4AKR1B1
SCHEMBL1747136 0.86 FFAR1 (0.72) FFAR1SMN1; SMN2RAB9AFFAR4AKR1B1

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 16 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
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP 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
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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 (2 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 FFAR1 24/4885SMN1; SMN2 2796/4885MRGPRX4 48/4885
US-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR FFAR1 33/4885SMN1; SMN2 4589/4885MRGPRX4 41/4885

“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.