SCHEMBL2489422

SCHEMBL2489422

COc1ccccc1C(OCCN)(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.64
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KCNH2 Q12809 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR3C2 P08235 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2491452 0.91 KIF11 (0.51) KIF11TAAR1KCNH2NR3C2TDP1
SCHEMBL2490799 0.90 KIF11 (0.52) KIF11TAAR1SMN1; SMN2KDM4ECA12
SCHEMBL2350759 0.85 KIF11 (0.49) KIF11TAAR1KCNH2NR3C2TDP1
SCHEMBL9215761 0.84 KIF11 (0.42) KIF11SMN1; SMN2CA12CA1CA2
SCHEMBL2494552 0.84 KIF11 (0.42) KIF11SMN1; SMN2CA12CA1CA2
SCHEMBL2491447 0.82 KIF11 (0.40) KIF11SMN1; SMN2KDM4ECA12CA1
SCHEMBL992027 0.81 KIF11 (0.42) KIF11SMN1; SMN2CA12CA1CA2
SCHEMBL2493848 0.81 TAAR1 (0.43) KIF11TAAR1SMN1; SMN2KDM4EKCNH2
SCHEMBL2493486 0.81 KIF11 (0.68) KIF11TAAR1SMN1; SMN2
SCHEMBL2492363 0.79 KIF11 (1.00) KIF11TAAR1SMN1; SMN2KDM4ETDP1

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 225/4885SMN1; SMN2 3632/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885TAAR1 194/4885SMN1; SMN2 3663/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885TAAR1 225/4885SMN1; SMN2 3592/4885

“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.