SCHEMBL2493523

SCHEMBL2493523

Cc1ccccc1C(OCCCN)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.54
TK2 O00142 8/20 0.42
TK1 P04183 1/20 0.41
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2493486 0.90 KIF11 (0.68) KIF11TK2TK1SMN1; SMN2
SCHEMBL2489288 0.90 KIF11 (0.43) KIF11TK2TK1KCNH2CYP3A4
SCHEMBL2489201 0.84 KIF11 (0.42) KIF11TK2TK1CYP2C9CYP2C19
SCHEMBL2494600 0.83 KIF11 (0.77) KIF11TK2TK1KCNH2HRH4
SCHEMBL2489578 0.83 KIF11 (0.56) KIF11TK2TK1KCNH2CYP2C9
SCHEMBL2491452 0.82 KIF11 (0.51) KIF11TK2TK1KCNH2HRH4
SCHEMBL17454867 0.81 KIF11 (0.54) KIF11TK2TK1KCNH2CYP3A4
SCHEMBL2491620 0.81 KIF11 (0.44) KIF11TK2TK1CYP2C9CYP2C19
SCHEMBL2490388 0.80 KIF11 (0.55) KIF11CYP3A4SMN1; SMN2
SCHEMBL8703547 0.76 KIF11 (0.71) KIF11TK2TK1KCNH2HRH4

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 2689/4885TK1 2771/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885TK2 2492/4885TK1 2725/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885TK2 2433/4885TK1 2689/4885

“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.