SCHEMBL2489288

SCHEMBL2489288

Cc1ccccc1C(OCCCN)(c1ccccc1C)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.43
TAAR1 Q96RJ0 1/20 0.37
HTR1B P28222 1/20 0.35
TK2 O00142 5/20 0.34
TK1 P04183 1/20 0.33
HRH1 P35367 1/20 0.33
SCN8A Q9UQD0 1/20 0.32
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2493523 0.90 KIF11 (0.54) KIF11TK2TK1KCNH2CYP3A4
SCHEMBL2490388 0.89 KIF11 (0.55) KIF11TAAR1HTR1BSCN8ACYP3A4
SCHEMBL2491343 0.82 ALDH1A1 (0.36) KIF11TK2TK1SCN8A
SCHEMBL2490788 0.80 KIF11 (0.44) KIF11TAAR1HTR1BHRH1
SCHEMBL2493848 0.79 TAAR1 (0.43) KIF11TAAR1HTR1BKCNH2
SCHEMBL2493486 0.79 KIF11 (0.68) KIF11TAAR1TK2TK1
SCHEMBL2490811 0.78 ALDH1A1 (0.36) KIF11TK2SCN8A
SCHEMBL2489201 0.73 KIF11 (0.42) KIF11TK2TK1CYP2C9CYP2C19
SCHEMBL2494600 0.73 KIF11 (0.77) KIF11TK2TK1KCNH2
SCHEMBL2491452 0.71 KIF11 (0.51) KIF11TAAR1HTR1BTK2TK1

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 4556/4885TAAR1 225/4885HTR1B 484/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885TAAR1 194/4885HTR1B 380/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885TAAR1 225/4885HTR1B 450/4885

“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.