SCHEMBL15345818

SCHEMBL15345818

CCc1ccc2c(CN)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
KIF11 P52732 1/20 0.39
MAPK1 P28482 1/20 0.38
MC5R P33032 1/20 0.38
ROCK1 Q13464 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
HTR2A P28223 2/20 0.37
SIGMAR1 Q99720 3/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 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
SCHEMBL3240202 0.87 CYP1A2 (0.55) CYP1A2CYP2A6KIF11MAPK1MC5R
SCHEMBL4847363 0.87 ROCK1 (0.49) CYP2A6MAPK1MC5RROCK1HTR2A
SCHEMBL15345368 0.86 CYP1A2 (0.50) CYP1A2CYP2A6MAPK1MC5RHTR1A
SCHEMBL15345427 0.86 CSNK2A2 (0.47) CYP1A2CYP2A6MAPK1MC5RROCK1
SCHEMBL15345477 0.83 S1PR1 (0.47) HTR1AHTR1DHTR1BHTR2ATLR8
SCHEMBL4846725 0.82 MC5R (0.50) MAPK1MC5RROCK1
SCHEMBL4844999 0.82 HRH3 (0.41) CYP1A2MC5RCYP2D6TSHR
SCHEMBL4846769 0.81 CYP2D6 (0.42) CYP1A2MAPK1MC5RHTR2ASIGMAR1
SCHEMBL4846995 0.81 MC5R (0.45) MAPK1MC5RROCK1
SCHEMBL15345355 0.81 S1PR1 (0.53) HTR1AHTR1DHTR1BHTR2AHTR2C

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 CYP1A2 98/4885CYP2A6 278/4885KIF11 4006/4885

“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.