SCHEMBL2491930

SCHEMBL2491930

COc1ccccc1-c1cccc(COCCO)c1-c1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HTR7 P34969 4/20 0.40
CD274 Q9NZQ7 2/20 0.40
APP P05067 1/20 0.39
HPGD P15428 2/20 0.38
IDO1 P14902 3/20 0.38
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FABP7 O15540 1/20 0.36
FABP3 P05413 1/20 0.36
FABP5 Q01469 1/20 0.36
HSP90AA1 P07900 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
STK10 O94804 1/20 0.36
GSK3B P49841 1/20 0.36
SLK Q9H2G2 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 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
SCHEMBL2489505 0.92 HTR7 (0.38) ALDH1A1HTR7APPHPGDIDO1
SCHEMBL16268547 0.88 APP (0.46) ALDH1A1HTR7APPIDO1KDM4E
SCHEMBL2495623 0.87 TAAR1 (0.46) ALDH1A1HTR7CD274APPIDO1
SCHEMBL2491622 0.83 TAAR1 (0.43) ALDH1A1HTR7CD274APPIDO1
SCHEMBL694510 0.81 IDO1 (0.56) ALDH1A1HPGDIDO1MAPT
SCHEMBL2491945 0.79 FFAR1 (0.36) ALDH1A1HTR7CD274KDM4E
SCHEMBL2493864 0.78 ALDH1A1 (0.36) ALDH1A1CD274HPGDIDO1HSD17B10
SCHEMBL2491941 0.77 CHRM3 (0.35) ALDH1A1CD274IDO1L3MBTL1RAB9A
SCHEMBL2488729 0.76 KDM4E (0.55) ALDH1A1CD274KDM4EL3MBTL1TSHR
SCHEMBL2790921 0.74 IDO1 (0.50) ALDH1A1HTR7APPIDO1KDM4E

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 ALDH1A1 1292/4885HTR7 241/4885CD274 3091/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ALDH1A1 1031/4885HTR7 164/4885CD274 2885/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ALDH1A1 1187/4885HTR7 178/4885CD274 2825/4885

“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.