SCHEMBL656970

SCHEMBL656970

O=C(O)CC(c1ccccc1)c1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.47
ALOX5 P09917 3/20 0.47
CYP1A2 P05177 2/20 0.47
PTGES O14684 1/20 0.47
LMNA P02545 1/20 0.47
LTA4H P09960 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
ALOX5AP P20292 1/20 0.47
LOX P28300 1/20 0.47
EPHX2 P34913 1/20 0.47
PTGS2 P35354 1/20 0.47
LTB4R Q15722 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL9199492 0.79 GABBR2 (0.53) BCL2L1ALOX5CYP1A2PTGESLMNA
SCHEMBL477483 0.75 HPGD (0.49) BCL2L1ALOX5CYP1A2PTGESLMNA
SCHEMBL6529208 0.74 DRD1 (0.47) BCL2L1ALOX5CYP1A2PTGESLMNA
SCHEMBL669582 0.74 RAB9A (0.45) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1579295 0.73 BCL2L1 (0.53) BCL2L1ALOX5CYP1A2PTGESLMNA
3,3-Diphenylpropanoic Acid SCHEMBL5283373 0.73 GABBR2 (0.59) LMNA
3,3-Diphenylpropanoic Acid SCHEMBL66473 0.73 GABBR2 (0.59) LMNA
SCHEMBL5542170 0.72 ALOX5 (0.57) BCL2L1ALOX5CYP1A2PTGESLMNA
SCHEMBL3630000 0.72 BCL2L1 (0.51) BCL2L1ALOX5CYP1A2PTGESLMNA
SCHEMBL5514188 0.72 ALOX5 (0.54) BCL2L1ALOX5CYP1A2PTGESLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BCL2L1 1956/4885ALOX5 4819/4885CYP1A2 4611/4885

“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.