SCHEMBL2491452

SCHEMBL2491452

COc1ccccc1C(OCCCN)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.51
KCNH2 Q12809 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
NR3C2 P08235 1/20 0.37
CHRM2 P08172 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1B P28222 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
TK2 O00142 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TK1 P04183 1/20 0.34

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
SCHEMBL2350759 0.92 KIF11 (0.49) KIF11KCNH2TAAR1NR3C2CHRM2
SCHEMBL2489422 0.91 KIF11 (0.64) KIF11KCNH2TAAR1NR3C2TDP1
SCHEMBL2493848 0.91 TAAR1 (0.43) KIF11KCNH2TAAR1CHRM2TDP1
SCHEMBL2491447 0.85 KIF11 (0.40) KIF11NR3C2HRH4TK2ALDH1A1
SCHEMBL7050159 0.82 KIF11 (0.40) KIF11NR3C2TDP1L3MBTL1HRH4
SCHEMBL2493523 0.82 KIF11 (0.54) KIF11KCNH2HRH4TK2TK1
SCHEMBL2494552 0.82 KIF11 (0.42) KIF11NR3C2L3MBTL1ALDH1A1
SCHEMBL9215761 0.82 KIF11 (0.42) KIF11NR3C2L3MBTL1ALDH1A1
SCHEMBL2490799 0.81 KIF11 (0.52) KIF11TAAR1CHRM2TDP1L3MBTL1
SCHEMBL2494600 0.81 KIF11 (0.77) KIF11KCNH2HRH4TK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KIF11 4556/4885KCNH2 2662/4885TAAR1 225/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885KCNH2 2817/4885TAAR1 194/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885KCNH2 2900/4885TAAR1 225/4885

“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.