SCHEMBL15345376

SCHEMBL15345376

CCc1cc(CN)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
F2 P00734 2/20 0.38
HTR6 P50406 1/20 0.38
ATM Q13315 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL29706450 0.86 CYP1A2 (0.52) HTR2ACYP1A2CYP2A6F2HTR6
SCHEMBL5682912 0.86 CYP1A2 (0.52) HTR2ACYP1A2CYP2A6F2HTR6
SCHEMBL8655955 0.86 HTR2A (0.52) HTR2ALOXL2CYP1A2CYP2A6F2
SCHEMBL15345338 0.85 HTR2A (0.47) HTR2ALOXL2CYP1A2CYP2A6F2
SCHEMBL15345545 0.83 TLR8 (0.45) HTR2AMAPT
SCHEMBL11055022 0.81 ATM (0.47) CYP1A2CYP2A6HTR6ATMALDH1A1
SCHEMBL15345593 0.80 MAPT (0.47) HTR2AALDH1A1MAPTHPGD
SCHEMBL15345543 0.80 MAPT (0.47) HTR2AALDH1A1MAPTHPGD
SCHEMBL15345782 0.80 HTR2A (0.46) HTR2ALOXL2
SCHEMBL15345427 0.80 CSNK2A2 (0.47) HTR2ALOXL2CYP1A2CYP2A6CSNK2A2

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 HTR2A 700/4885LOXL2 3456/4885CYP1A2 98/4885

“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.