SCHEMBL15345472

SCHEMBL15345472

CCCCCCc1ccc(CN)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
MAPT P10636 3/20 0.45
TLR8 Q9NR97 9/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR2A P28223 2/20 0.44
TYR P14679 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL15345533 1.00 LIPG (0.49) LIPGMAPTTLR8CYP3A4KDM4E
SCHEMBL15345378 0.93 TLR8 (0.51) LIPGTLR8HTR2AALOX5
SCHEMBL15345634 0.93 TLR8 (0.51) LIPGTLR8HTR2AALOX5
SCHEMBL15345326 0.92 CNR2 (0.43) LIPGMAPTTLR8CYP3A4KDM4E
SCHEMBL11779245 0.90 LIPG (0.57) LIPGMAPTCYP3A4KDM4EUSP2
SCHEMBL30537736 0.90 LIPG (0.57) LIPGMAPTCYP3A4KDM4EUSP2
SCHEMBL3677393 0.88 LIPG (0.53) LIPGMAPTTLR8CYP3A4KDM4E
SCHEMBL3674865 0.85 LIPG (0.52) LIPGMAPTCYP3A4TYRMEN1
SCHEMBL15345574 0.85 TLR8 (0.44) LIPGTLR8ALOX5
SCHEMBL17537737 0.85 MAOA (0.47) TLR8

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 LIPG 4290/4885MAPT 3001/4885TLR8 2731/4885

“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.