SCHEMBL2493848

SCHEMBL2493848

COc1ccccc1C(OCCCN)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
KIF11 P52732 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
CHRM2 P08172 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1B P28222 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL2491452 0.91 KIF11 (0.51) TAAR1KIF11TDP1CHRM2L3MBTL1
SCHEMBL2490799 0.90 KIF11 (0.52) TAAR1KIF11TDP1CHRM2L3MBTL1
SCHEMBL2350759 0.85 KIF11 (0.49) TAAR1KIF11TDP1CHRM2L3MBTL1
SCHEMBL2494964 0.83 ALDH1A1 (0.41) TDP1L3MBTL1CA12CA1CA2
SCHEMBL2489422 0.81 KIF11 (0.64) TAAR1KIF11TDP1L3MBTL1CA12
SCHEMBL2489288 0.79 KIF11 (0.43) TAAR1KIF11HTR1BKCNH2
SCHEMBL2491593 0.79 CA1 (0.41) L3MBTL1CA12CA1CA2CA4
SCHEMBL2490788 0.77 KIF11 (0.44) TAAR1KIF11TDP1L3MBTL1HTR1B
SCHEMBL7050159 0.75 KIF11 (0.40) KIF11TDP1L3MBTL1CA12CA1
SCHEMBL2491447 0.75 KIF11 (0.40) KIF11CA12CA1CA2CA4

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 TAAR1 225/4885KIF11 4556/4885TDP1 2051/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 TAAR1 194/4885KIF11 4605/4885TDP1 2151/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R TAAR1 225/4885KIF11 4611/4885TDP1 2238/4885

“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.