SCHEMBL2492905

SCHEMBL2492905

NCCOCc1ccc(-c2ccccc2)c(-c2ccccc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
DPP4 P27487 1/20 0.35
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
TACR1 P25103 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GBA1 P04062 4/20 0.32
LCT P09848 4/20 0.32
UGCG Q16739 4/20 0.32
GBA2 Q9HCG7 4/20 0.32
MGAM O43451 2/20 0.32
SI P14410 2/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
CD274 Q9NZQ7 1/20 0.31
IDO1 P14902 2/20 0.31
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL2489577 0.92 GBA1 (0.35) TP53MAPK1RAB9ADPP4ALOX5AP
SCHEMBL2491320 0.87 ALDH1A1 (0.37) ALOX5APFEN1TACR1GBA1LCT
SCHEMBL2492411 0.84 GBA1 (0.36) TACR1GBA1LCTUGCGGBA2
SCHEMBL2493484 0.82 CD274 (0.40) TP53MAPK1RAB9ADPP4TACR1
SCHEMBL2489421 0.80 PDE4B (0.38) TP53MAPK1RAB9ADPP4ALOX5AP
SCHEMBL2493521 0.74 CD274 (0.35) TP53MAPK1RAB9ADPP4GBA1
SCHEMBL8462694 0.73 DHFR (0.38) TP53DPP4PTGS1PTGS2CD274
SCHEMBL2491451 0.72 PDE4B (0.37) TP53MAPK1RAB9ADPP4ALOX5AP
SCHEMBL2490820 0.71 TAAR1 (0.39) TP53MAPK1RAB9ATAAR1CD274
SCHEMBL2491936 0.70 ALDH1A1 (0.38)

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 TP53 4826/4885MAPK1 172/4885RAB9A 923/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 TP53 4797/4885MAPK1 221/4885RAB9A 1013/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R TP53 4787/4885MAPK1 194/4885RAB9A 1118/4885

“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.