SCHEMBL2495623

SCHEMBL2495623

COc1ccccc1-c1cccc(COCCN)c1-c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
IDO1 P14902 3/20 0.42
HTR7 P34969 4/20 0.41
APP P05067 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CHRM2 P08172 1/20 0.37
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 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
SCHEMBL2491622 0.93 TAAR1 (0.43) TAAR1IDO1HTR7APPCD274
SCHEMBL16268547 0.89 APP (0.46) TAAR1IDO1HTR7APPALDH1A1
SCHEMBL2491930 0.87 ALDH1A1 (0.44) IDO1HTR7APPCD274ALDH1A1
SCHEMBL2489505 0.85 HTR7 (0.38) IDO1HTR7APPALDH1A1KDM4E
SCHEMBL2495001 0.81 TAAR1 (0.40) TAAR1HTR7CD274MAPTMAPK1
SCHEMBL2494538 0.79 IDO1 (0.40) TAAR1IDO1HTR7CD274ALDH1A1
SCHEMBL22425880 0.78 TAAR1 (0.47) TAAR1IDO1CD274ALDH1A1MAPT
SCHEMBL2790921 0.76 IDO1 (0.50) TAAR1IDO1HTR7APPALDH1A1
SCHEMBL30317639 0.74 HTR7 (0.64) TAAR1HTR7APPALDH1A1KDM4E
SCHEMBL2490820 0.73 TAAR1 (0.39) TAAR1IDO1CD274MAPK1TP53

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 225/4885IDO1 275/4885HTR7 241/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 TAAR1 194/4885IDO1 267/4885HTR7 164/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R TAAR1 225/4885IDO1 320/4885HTR7 178/4885

“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.