SCHEMBL658439

SCHEMBL658439

Cc1ccccc1C(CC(=O)O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
CTSA P10619 15/20 0.48
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACP3 P15309 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
SCHEMBL30781885 1.00 GABBR2 (0.48) GABBR2GABBR1CTSAPOLBHTT
SCHEMBL14081313 0.91 CTSA (0.45) GABBR2GABBR1CTSA
SCHEMBL2794839 0.90 CTSA (0.49) GABBR2GABBR1CTSAACP3
SCHEMBL657343 0.90 CTSA (0.42) GABBR2GABBR1CTSAPOLBHTT
SCHEMBL21631997 0.89 GABBR2 (0.61) GABBR2GABBR1CTSA
SCHEMBL11287832 0.88 CTSA (0.43) GABBR2GABBR1CTSA
SCHEMBL27544216 0.87 ALDH1A1 (0.47) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL28062031 0.85 HPGD (0.51) GABBR2GABBR1CTSAACP3
SCHEMBL9468394 0.85 CTSA (0.43) GABBR2GABBR1CTSAPOLBHTT
SCHEMBL14360119 0.84 CYSLTR2 (0.47) GABBR2GABBR1CTSA

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
CN-117550943-A Based on CO 2 Method for participating in controllable synthesis of polycarboxylic acid compounds 四川大学 2024-02-13 CN disclosed
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
US-20090163461-A1 Ligand for Vesicular Acetylcholine Transporter NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-06-25 US disclosed
US-20090163461-A1 Ligand for Vesicular Acetylcholine Transporter NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-06-25 US disclosed
US-5262313-A Reaction of carrageen with esterase and hardening drops ANDCARE, INC. (US) 1993-11-16 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB GABBR2 4480/4885GABBR1 4561/4885CTSA 1337/4885
US-20090163461-A1 Ligand for Vesicular Acetylcholine Transporter SLC18A3, SLC18A2, SLC6A2 GABBR2 2411/4885GABBR1 2400/4885CTSA 2624/4885

“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.