SCHEMBL15345666

SCHEMBL15345666

COc1cc(CN)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
NQO1 P15559 1/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMPD1 P17405 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL24510994 0.84 PTGS2 (0.52) NQO1MAPTALDH1A1NPSR1LMNA
SCHEMBL15345521 0.83 TLR8 (0.44) HTR2AALDH1A1LMNASMN1; SMN2HTR1B
SCHEMBL1941807 0.82 TTR (0.49) NQO1MAPTALDH1A1NPSR1LMNA
SCHEMBL1941564 0.82 PKM (0.48) NQO1MAPTALDH1A1NPSR1
SCHEMBL15345448 0.81 DHODH (0.46) NQO1ALDH1A1KDM4EATMLMNA
SCHEMBL15345430 0.80 CSNK2A1 (0.49) HTR2AHTR1B
SCHEMBL11741652 0.79 NQO1 (0.43) NQO1MAPTALDH1A1NPSR1LMNA
SCHEMBL6615163 0.79 NQO1 (0.43) NQO1MAPTALDH1A1NPSR1
SCHEMBL15345331 0.79 LOXL2 (0.44) HTR2A
Hydrochloric Acid SCHEMBL5962932 0.79 HTR2A (0.53) HTR2A

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 700/4885NQO1 322/4885MAPT 3001/4885

“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.