SCHEMBL2494623

SCHEMBL2494623

COc1ccccc1C(c1ccccc1)(c1ccccc1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.49
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRM3 P20309 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL2492739 0.98 CYP2B6 (0.46) CYP2B6KMT2AMEN1HTTPKM
SCHEMBL2492805 0.90 HRH3 (0.42) CYP2B6KMT2AMEN1HTTPKM
SCHEMBL2489244 0.89 HRH3 (0.44) CYP2B6KMT2AMEN1HTTPKM
SCHEMBL2490245 0.85 HTR3A (0.49) HTTCYP2D6CYP2C19
SCHEMBL2491954 0.79 CYP2B6 (0.53) CYP2B6KMT2AMEN1MAPK1CHRM3
SCHEMBL2490819 0.78 CYP2B6 (0.51) CYP2B6KMT2AMEN1HTTCA4
SCHEMBL12209773 0.78 CYP2B6 (0.51) CYP2B6KMT2AMEN1HTTCA4
SCHEMBL2491599 0.77 CYP2B6 (0.63) CYP2B6KMT2AMEN1MAPK1CHRM3
SCHEMBL19296941 0.77 CYP2B6 (0.63) CYP2B6KMT2AMEN1MAPK1CHRM3
SCHEMBL2494585 0.77 CYP2B6 (0.50) CYP2B6KMT2AMEN1CHRM3CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US 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 (3 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-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH CYP2B6 105/4885KMT2A 2108/4885MEN1 1585/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CYP2B6 100/4885KMT2A 2219/4885MEN1 1346/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CYP2B6 110/4885KMT2A 2287/4885MEN1 1200/4885

“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.