SCHEMBL15345348

SCHEMBL15345348

NCc1ccc2cccc(I)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 2/20 0.43
PRKCA P17252 2/20 0.43
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
LOXL2 Q9Y4K0 4/20 0.39
ASIC3 Q9UHC3 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PLG P00747 2/20 0.38
KLK1 P06870 2/20 0.38
KLK6 Q92876 2/20 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
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL15345595 0.85 ROCK1 (0.47) PRKCBPRKCAPNMTENPP2LOXL2
SCHEMBL14226497 0.79 HRH3 (0.46) PNMTENPP2LOXL2ASIC3HRH3
SCHEMBL24546659 0.78 CYP1A2 (0.46) TAAR1
SCHEMBL31284846 0.78 ALDH1A1 (0.56) PRKCBPRKCALOXL2ASIC3PLG
SCHEMBL15345740 0.77 CYP1A2 (0.57) PRKCBPRKCAPNMTENPP2LOXL2
SCHEMBL15345371 0.77 CTDSP1 (0.58) PRKCBPRKCAPNMTENPP2LOXL2
SCHEMBL15345416 0.77 ADRA2A (0.49) PRKCBPRKCAPNMTENPP2LOXL2
SCHEMBL15345360 0.77 LOXL2 (0.45) PRKCBPRKCAPNMTENPP2LOXL2
SCHEMBL15345405 0.75 KDM4E (0.57) LOXL2PLGKLK1KLK6
SCHEMBL22278134 0.74 PRKCB (0.41) PRKCBPRKCAPNMTENPP2LOXL2

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 PRKCB 2435/4885PRKCA 2714/4885PNMT 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.