SCHEMBL659200

SCHEMBL659200

O=C(O)CC(CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.60
GABBR1 Q9UBS5 4/20 0.60
FFAR1 O14842 2/20 0.59
MAPT P10636 1/20 0.53
PTGS2 P35354 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ABCC4 O15439 1/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL658940 0.89 GABBR2 (0.50) GABBR2GABBR1FFAR1MAPTPTGS2
SCHEMBL503819 0.87 GABBR2 (0.76) GABBR2GABBR1MAPTLMNATSHR
SCHEMBL16249736 0.87 GABBR2 (0.61) GABBR2GABBR1FFAR1MAPTLMNA
Hydrochloric Acid SCHEMBL7092228 0.85 GABBR2 (0.73) GABBR2GABBR1MAPTLMNATSHR
SCHEMBL6734410 0.85 GABBR2 (0.73) GABBR2GABBR1MAPTLMNATSHR
SCHEMBL2996427 0.84 FFAR1 (0.61) GABBR2GABBR1FFAR1MAPTLMNA
SCHEMBL5499422 0.83 FFAR1 (0.59) GABBR2GABBR1FFAR1PTGS2MMP2
SCHEMBL27694460 0.82 FFAR1 (0.57) GABBR2GABBR1FFAR1PTGS2MMP2
SCHEMBL7858991 0.80 FFAR1 (0.67) FFAR1PTGS2MMP2MMP9MMP12
SCHEMBL21237780 0.80 FFAR1 (0.67) FFAR1PTGS2MMP2MMP9MMP12

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 13 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
US-7364824-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2008-04-29 US disclosed
US-7364824-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2008-04-29 US disclosed
US-20070111121-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-05-17 US disclosed
US-20070111121-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-05-17 US disclosed
US-5489599-A FUNGICIDES SHELL RESEARCH LIMITED (GB) 1996-02-06 US disclosed
WO-1992012130-A1 PIPERIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1992-07-23 WO disclosed
EP-0494717-A1 Piperidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-07-15 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 4561/4885FFAR1 4188/4885

“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.