SCHEMBL15345347

SCHEMBL15345347

CCCCCCc1cccc2cccc(CN)c12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
TLR8 Q9NR97 8/20 0.46
KCNH2 Q12809 2/20 0.46
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
HTR2A P28223 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL15345387 1.00 LIPG (0.46) LIPGTLR8KCNH2BIDMCL1
SCHEMBL15345445 0.93 TLR8 (0.42) LIPGTLR8KCNH2HTR2AALOX5
SCHEMBL1193690 0.89 KCNH2 (0.50) LIPGTLR8KCNH2BIDMCL1
SCHEMBL8564246 0.83 TLR8 (0.44) LIPGTLR8KCNH2BIDMCL1
SCHEMBL5750870 0.83 TLR8 (0.46) LIPGTLR8KCNH2BIDMCL1
SCHEMBL5746445 0.83 TLR8 (0.46) LIPGTLR8KCNH2BIDMCL1
SCHEMBL5747254 0.83 TLR8 (0.46) LIPGTLR8KCNH2BIDMCL1
SCHEMBL2775024 0.81 TLR8 (0.43) LIPGTLR8KCNH2BIDMCL1
SCHEMBL11162147 0.80 ALOX5 (0.50) LIPGTLR8KCNH2BIDMCL1
SCHEMBL339685 0.80 LIPG (0.58) LIPGTLR8KCNH2BIDMCL1

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 4290/4885TLR8 2731/4885KCNH2 694/4885

“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.