SCHEMBL2489296

SCHEMBL2489296

Cc1ccc(C(OCCCN)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.50
TK2 O00142 7/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TK1 P04183 1/20 0.38
TSHR P16473 1/20 0.37
SLC6A11 P48066 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL2490391 0.88 KIF11 (0.64) KIF11TK2CYP1A2CYP2A6TAAR1
SCHEMBL2493851 0.81 KIF11 (0.53) KIF11CYP1A2TAAR1SLC6A11KCNH2
SCHEMBL12199498 0.81 KIF11 (0.79) KIF11TK2TK1
SCHEMBL2491345 0.81 TK2 (0.38) KIF11TK2TK1TSHRSLC6A11
SCHEMBL2490790 0.81 KIF11 (0.50) KIF11TAAR1SLC6A11HRH4
SCHEMBL2494600 0.80 KIF11 (0.77) KIF11TK2TK1KCNH2HRH4
SCHEMBL20827845 0.76 KIF11 (0.63) KIF11SLC6A11KCNH2
SCHEMBL2490812 0.76 KIF11 (0.39) KIF11TK2TK1TSHRSLC6A11
SCHEMBL12199501 0.74 KIF11 (0.65) KIF11SLC6A11KCNH2
SCHEMBL18803716 0.73 KIF11 (0.55) KIF11TK2TK1HRH4

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 4556/4885TK2 2689/4885CYP1A2 28/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885TK2 2492/4885CYP1A2 28/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885TK2 2433/4885CYP1A2 27/4885

“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.