SCHEMBL15345596

SCHEMBL15345596

NCc1ccc2cccc(-c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.52
▸ PRKCB P05771 2/20 0.49
▸ PRKCA P17252 2/20 0.49
▸ TNF P01375 1/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ SGK1 O00141 1/20 0.43
▸ ASIC3 Q9UHC3 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ BACE1 P56817 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ F9 P00740 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 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
SCHEMBL15345544 0.86 CSNK2A1 (0.53) CSNK2A1TAAR1PRKCBPRKCATNF
SCHEMBL27629006 0.82 CA12 (0.54) TAAR1TNFLOXL2TLR8CA12
SCHEMBL27942786 0.81 TAAR1 (0.48) CSNK2A1TAAR1PRKCBPRKCATNF
SCHEMBL27766713 0.81 HTR7 (0.46) CSNK2A1TAAR1PRKCBPRKCALOXL2
SCHEMBL31284846 0.77 ALDH1A1 (0.56) TAAR1PRKCBPRKCALOXL2ASIC3
SCHEMBL5362598 0.77 TAAR1 (0.77) CSNK2A1TAAR1DPP4LOXL2SGK1
SCHEMBL11378957 0.77 CDK4 (0.57) TAAR1TNFCA12CA1CA2
SCHEMBL27649924 0.76 LOXL2 (0.58) CSNK2A1TAAR1DPP4LOXL2
SCHEMBL6564487 0.76 CA12 (0.54) TNFCA12CA1CA2CA9
SCHEMBL10336724 0.76 TLR8 (0.54) CSNK2A1TAAR1TNFLOXL2SGK1

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 CSNK2A1 2918/4885TAAR1 6/4885PRKCB 2435/4885

“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.

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