SCHEMBL15345574

SCHEMBL15345574

CCCCc1cccc2c(CN)cccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.44
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
PNMT P11086 1/20 0.38

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
SCHEMBL15345378 0.92 TLR8 (0.51) TLR8LIPGALOX5PTGS2
SCHEMBL15345634 0.92 TLR8 (0.51) TLR8LIPGALOX5PTGS2
SCHEMBL15345326 0.92 CNR2 (0.43) TLR8LIPG
SCHEMBL19465419 0.89 LIPG (0.45) TLR8LIPGALOX5PTGS2
SCHEMBL30562992 0.87 LIPG (0.44) TLR8LIPGALOX5PTGS2
SCHEMBL15345533 0.85 LIPG (0.49) TLR8LIPGALOX5
SCHEMBL15345472 0.85 LIPG (0.49) TLR8LIPGALOX5
SCHEMBL394854 0.81 LIPG (0.47) TLR8LIPGALOX5PTGS2PNMT
SCHEMBL8823285 0.81 CNR2 (0.48) TLR8LIPG
SCHEMBL30537734 0.81 CNR2 (0.48) TLR8LIPG

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 TLR8 2731/4885LIPG 4290/4885ALOX5 3450/4885

“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.