SCHEMBL2490800

SCHEMBL2490800

COc1ccc(C(OCCN)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.60
KCNH2 Q12809 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAOB P27338 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SLC6A11 P48066 3/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A12 P48065 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
AOC3 Q16853 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2490823 0.93 KIF11 (0.73) KIF11KCNH2SLC6A11SMN1; SMN2
SCHEMBL3617308 0.93 KIF11 (0.73) KIF11KCNH2SLC6A11SMN1; SMN2
SCHEMBL2493851 0.89 KIF11 (0.53) KIF11KCNH2TAAR1MAOBCA12
SCHEMBL12199501 0.87 KIF11 (0.65) KIF11KCNH2SLC6A11SMN1; SMN2
SCHEMBL24172659 0.84 KIF11 (0.60) KIF11KCNH2SLC6A11SMN1; SMN2
SCHEMBL7090463 0.84 KIF11 (0.60) KIF11KCNH2SLC6A11SMN1; SMN2
SCHEMBL20827845 0.83 KIF11 (0.63) KIF11KCNH2SLC6A11SMN1; SMN2
SCHEMBL16353449 0.82 KIF11 (0.61) KIF11KCNH2SLC6A11SMN1; SMN2
SCHEMBL2491594 0.81 SLC6A11 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2344128 0.81 KIF11 (0.60) KIF11KCNH2SLC6A11SMN1; SMN2

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.