SCHEMBL15345352

SCHEMBL15345352

CCOc1cccc2cc(CN)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTR1B P28222 4/20 0.44
CYP2A6 P11509 1/20 0.42
CSNK2A1 P68400 2/20 0.40
TLR8 Q9NR97 1/20 0.40
TSHR P16473 2/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL15345351 0.88 CSNK2A1 (0.55) ROCK1HTR1BCYP2A6CSNK2A1TLR8
SCHEMBL15345486 0.87 HTR1B (0.44) ALDH1A1HTR1BCYP2A6CSNK2A1TLR8
SCHEMBL23530077 0.84 S1PR1 (0.42) ALDH1A1HTR1BCYP2A6TSHRMEN1
SCHEMBL14613949 0.84 NCEH1 (0.42) ALDH1A1HTR1BCYP2A6TSHR
SCHEMBL15345448 0.83 DHODH (0.46) ROCK1ALDH1A1TSHRMEN1KMT2A
SCHEMBL15345521 0.82 TLR8 (0.44) ALDH1A1HTR1BTLR8TSHRMEN1
SCHEMBL1807259 0.80 ALDH1A1 (0.52) ALDH1A1HTR1BCYP2A6TLR8TSHR
SCHEMBL29919659 0.79 CYP2A6 (0.47) ALDH1A1HTR1BCYP2A6TLR8TSHR
SCHEMBL29102436 0.79 CYP2A6 (0.47) ALDH1A1HTR1BCYP2A6TLR8TSHR
SCHEMBL7834554 0.78 CYP1A2 (0.53) ALDH1A1HTR1BCYP2A6TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 ROCK1 1678/4885ALDH1A1 250/4885HTR1B 163/4885

“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.