SCHEMBL435678

SCHEMBL435678

CCC(C)OC(=O)C(=Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3224035 0.88 MEN1 (0.55) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL11815879 0.87 GRIK1 (0.42) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL1673522 0.87 KMT2A (0.55) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL3218589 0.87 MEN1 (0.55) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL1332953 0.86 TAS1R3 (0.42) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL8577901 0.86 TP53 (0.58) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL10772305 0.85 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6233438 0.85 KMT2A (0.45) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11330329 0.83 KDM4E (0.43) KDM4ELMNANR1H4TP53
SCHEMBL1856660 0.83 PTGS2 (0.43) KDM4EALDH1A1MEN1KMT2ALMNA

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-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
EP-1861465-B1 CHROMOPHORE COATED METAL OXIDE PARTICLES DSM IP ASSETS BV (NL) 2010-10-13 EP disclosed
US-20090291107-A1 Chromophore Coated Metal Oxide Particles DSM IP ASSETS B.V. (NL) 2009-11-26 US disclosed
EP-1861465-A2 CHROMOPHORE COATED METAL OXIDE PARTICLES DSMIP Assets B.V. (NL) 2007-12-05 EP disclosed
WO-2006099952-A2 CHROMOPHORE COATED METAL OXIDE PARTICLES DSM IP ASSETS B.V. (NL) 2006-09-28 WO disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed
US-3943094-A Polymers and copolymers based on alkenoyl-oxybenzylidene-malonic esters as UV-absorbers and polymers stabilized therewith BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 US 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-20090291107-A1 Chromophore Coated Metal Oxide Particles PPOX, MITF, MC1R KDM4E 2829/4885ALDH1A1 1116/4885MEN1 538/4885
US-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 KDM4E 3722/4885ALDH1A1 2410/4885MEN1 2828/4885

“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.