SCHEMBL2490799

SCHEMBL2490799

COc1ccccc1C(OCCN)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.52
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTR1B P28222 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
SCHEMBL2489422 0.90 KIF11 (0.64) KIF11TAAR1KDM4ECA1CA2
SCHEMBL2493848 0.90 TAAR1 (0.43) KIF11TAAR1KDM4ECA1CA2
SCHEMBL1132591 0.84 TAAR1 (0.44) KIF11TAAR1KDM4ECA1CA2
SCHEMBL2491593 0.82 CA1 (0.41) KDM4ECA1CA2CA7CA9
SCHEMBL2491452 0.81 KIF11 (0.51) KIF11TAAR1TDP1ALDH1A1L3MBTL1
SCHEMBL2494964 0.79 ALDH1A1 (0.41) KDM4ECA1CA2CA7CA9
SCHEMBL2350759 0.79 KIF11 (0.49) KIF11TAAR1TDP1ALDH1A1L3MBTL1
SCHEMBL2490388 0.78 KIF11 (0.55) KIF11TAAR1KDM4ETDP1ALDH1A1
SCHEMBL2492372 0.76 KIF11 (0.57) KIF11TAAR1KDM4ETDP1ALDH1A1
SCHEMBL8784754 0.74 CA1 (0.55) TAAR1KDM4ECA1CA2CA7

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 225/4885KDM4E 2772/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885TAAR1 194/4885KDM4E 3096/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885TAAR1 225/4885KDM4E 3125/4885

“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.