SCHEMBL15345544

SCHEMBL15345544

NCc1ccc2c(-c3ccccc3)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.52
▸ PRKCB P05771 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ PRKCH P24723 1/20 0.46
▸ PRKCE Q02156 1/20 0.46
▸ PRKCQ Q04759 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ DPP4 P27487 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MPI P34949 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SGK1 O00141 1/20 0.43
▸ ASIC3 Q9UHC3 1/20 0.42

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
SCHEMBL15345596 0.86 CSNK2A1 (0.53) CSNK2A1TAAR1PRKCBPRKCADPP4
SCHEMBL12074289 0.83 TAAR1 (0.49) CSNK2A1TAAR1LOXL2SGK1TLR8
SCHEMBL15345745 0.82 KDM4E (0.55) CSNK2A1TAAR1DPP4ROCK1LOXL2
SCHEMBL27629006 0.82 CA12 (0.54) TAAR1LOXL2TLR8TNFCA12
SCHEMBL27942786 0.81 TAAR1 (0.48) CSNK2A1TAAR1PRKCBPRKCALOXL2
SCHEMBL27766713 0.81 HTR7 (0.46) CSNK2A1TAAR1PRKCBPRKCALOXL2
SCHEMBL5362598 0.77 TAAR1 (0.77) CSNK2A1TAAR1DPP4LOXL2ALDH1A1
SCHEMBL573604 0.77 PLAU (0.53) TAAR1KDM4EMEN1ALDH1A1MAPT
SCHEMBL24782609 0.76 ALDH1A1 (0.54) TAAR1ROCK1LOXL2KDM4EALDH1A1
SCHEMBL27649924 0.76 LOXL2 (0.58) CSNK2A1TAAR1DPP4LOXL2ALDH1A1

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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