SCHEMBL15345559

SCHEMBL15345559

NCc1cccc2c(F)cccc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
SLC6A4 P31645 5/20 0.43
MPO P05164 4/20 0.43
DAO P14920 1/20 0.42
MAOB P27338 2/20 0.42
PNMT P11086 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
IDO1 P14902 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL3178359 0.86 LOXL2 (0.45) TAAR1SLC6A4MPODAOMAOB
SCHEMBL3882536 0.85 PNMT (0.52) TAAR1PNMTLOXL2
SCHEMBL29463705 0.85 PNMT (0.52) TAAR1PNMTLOXL2
SCHEMBL9694974 0.84 TAAR1 (0.61) TAAR1SLC6A4MPODAO
Hydrochloric Acid SCHEMBL2528714 0.84 LOXL2 (0.44) TAAR1SLC6A4MPODAOMAOB
Hydrochloric Acid SCHEMBL20561882 0.83 TAAR1 (0.59) TAAR1SLC6A4MPODAOMAOB
SCHEMBL15353259 0.79 DAO (0.44) TAAR1SLC6A4MPODAOIDO1
SCHEMBL214409 0.78 TAAR1 (0.52) TAAR1SLC6A4MPOMAOBPNMT
SCHEMBL20278434 0.78 LOXL2 (0.44) TAAR1SLC6A4MPODAOMAOB
SCHEMBL15351882 0.77 DAO (0.46) TAAR1SLC6A4MPODAOIDO1

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 TAAR1 6/4885SLC6A4 1846/4885MPO 3254/4885

“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.