SCHEMBL15345397

SCHEMBL15345397

CCCCCCCCCCc1cccc2cc(CN)ccc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.53
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
HTR2A P28223 1/20 0.44

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
SCHEMBL15345485 1.00 TLR8 (0.53) TLR8S1PR1S1PR3HTR2A
SCHEMBL15345362 0.94 TLR8 (0.49) TLR8S1PR1S1PR3
SCHEMBL11230398 0.89 S1PR1 (0.56) TLR8S1PR1S1PR3
SCHEMBL15345419 0.88 TLR8 (0.53) TLR8HTR2A
SCHEMBL15345355 0.88 S1PR1 (0.53) TLR8S1PR1S1PR3HTR2A
SCHEMBL15345558 0.88 TLR8 (0.53) TLR8HTR2A
SCHEMBL15345306 0.88 S1PR1 (0.53) TLR8S1PR1S1PR3HTR2A
SCHEMBL15345593 0.84 MAPT (0.47) TLR8HTR2A
SCHEMBL15345543 0.84 MAPT (0.47) TLR8HTR2A
SCHEMBL15345359 0.82 TLR8 (0.49) 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 TLR8 2731/4885S1PR1 680/4885S1PR3 445/4885

“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.