SCHEMBL658232

SCHEMBL658232

Cc1cc(Cl)ccc1C1CC(=O)OC(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
THRB P10828 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.39
PROKR1 Q8TCW9 9/20 0.38
USP2 O75604 1/20 0.37
ALDH2 P05091 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM7 Q14831 1/20 0.36

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
SCHEMBL31462733 0.87 MAPT (0.43) MAPTMEN1KMT2ATHRBALDH1A1
SCHEMBL658020 0.83 ERBB2 (0.47) MAPTTHRBALDH1A1TP53ALOX12
SCHEMBL14580256 0.79 MAP1LC3B (0.41) MAPTMEN1KMT2ATHRBALDH1A1
SCHEMBL31462794 0.78 HTR2A (0.36) MEN1KMT2AL3MBTL1
SCHEMBL16954068 0.76 TAAR1 (0.47) TAAR1PROKR1
SCHEMBL657344 0.75 ALDH1A1 (0.50) MAPTMEN1KMT2ATHRBALDH1A1
SCHEMBL658251 0.72 HTT (0.47) TAAR1MAPTKMT2AALDH1A1TP53
SCHEMBL16971184 0.72 MAPK1 (0.47) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL22137696 0.72 PROKR1 (0.47) TAAR1PROKR1
SCHEMBL657724 0.71 POLB (0.53) MAPTMEN1KMT2AALDH1A1TP53

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 TAAR1 4527/4885MAPT 964/4885MEN1 2058/4885

“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.