SCHEMBL15345595

SCHEMBL15345595

NCc1ccc2c(I)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.47
HTR2A P28223 1/20 0.39
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
CYP2A6 P11509 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
ASH1L Q9NR48 1/20 0.38
LOXL2 Q9Y4K0 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36

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
SCHEMBL15345348 0.85 PRKCB (0.43) ROCK1PNMTENPP2ASIC3LOXL2
SCHEMBL15345346 0.78 HTR2A (0.50) ROCK1HTR2ACYP2A6ASIC3LOXL2
SCHEMBL4847363 0.78 ROCK1 (0.49) ROCK1HTR2APNMTENPP2CYP2A6
SCHEMBL14226501 0.78 ROCK1 (0.53) ROCK1HTR2APNMTENPP2CYP2A6
SCHEMBL15345520 0.77 PNMT (0.48) ROCK1HTR2APNMTENPP2CYP2A6
SCHEMBL15345790 0.77 ROCK1 (0.47) ROCK1HTR2APNMTENPP2CYP2A6
SCHEMBL15345704 0.77 CYP1A2 (0.57) ROCK1HTR2APNMTENPP2CYP2A6
SCHEMBL15345538 0.77 PLAU (0.58) ROCK1ENPP2ABAT
SCHEMBL24782609 0.76 ALDH1A1 (0.54) ROCK1HTR2ACYP2A6ASIC3LOXL2
SCHEMBL4847358 0.75 KDM4E (0.57) ROCK1

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 ROCK1 1678/4885HTR2A 700/4885PNMT 334/4885

“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.