SCHEMBL657936

SCHEMBL657936

O=C(O)CC(CC(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
UGT2B7 P16662 1/20 0.48
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 7/20 0.48
SLC6A3 Q01959 7/20 0.48
CYP2D6 P10635 5/20 0.48
KCNH2 Q12809 5/20 0.48
CYP3A4 P08684 4/20 0.48
PTPN7 P35236 1/20 0.47
PDPK1 O15530 1/20 0.47
TNF P01375 1/20 0.46
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL656859 0.91 FNTA (0.46) GABBR2GABBR1FNTAFNTBUGT2B7
SCHEMBL11044445 0.90 GABBR2 (0.67) GABBR2GABBR1SLC6A2SLC6A4SLC6A3
SCHEMBL659643 0.89 PDPK1 (0.52) FNTAFNTBPDPK1KDM4E
SCHEMBL12320565 0.85 SLC6A2 (0.54) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL13933868 0.84 CYP2D6 (0.53) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2203728 0.82 FFAR1 (0.57) UGT2B7CYP2D6
SCHEMBL5720938 0.82 KMT2A (0.55) GABBR2GABBR1UGT2B7SLC6A2SLC6A4
SCHEMBL5720949 0.82 KMT2A (0.55) GABBR2GABBR1UGT2B7SLC6A2SLC6A4
SCHEMBL21690086 0.82 KMT2A (0.55) GABBR2GABBR1UGT2B7SLC6A2SLC6A4
SCHEMBL31165823 0.82 KMT2A (0.55) GABBR2GABBR1UGT2B7SLC6A2SLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247317-A Based on CO 2 Method for synthesizing dicarboxylic acid/tricarboxylic acid compound 四川大学 2023-12-19 CN disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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 (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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB GABBR2 4480/4885GABBR1 4561/4885FNTA 944/4885

“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.