SCHEMBL2489577

SCHEMBL2489577

NCCCOCc1ccc(-c2ccccc2)c(-c2ccccc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.35
LCT P09848 6/20 0.35
UGCG Q16739 6/20 0.35
GBA2 Q9HCG7 6/20 0.35
SI P14410 4/20 0.35
MGAM O43451 3/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
DPP4 P27487 1/20 0.33
TACR1 P25103 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
NAAA Q02083 1/20 0.30
S1PR3 Q99500 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
SCHEMBL2492905 0.92 TP53 (0.40) GBA1LCTUGCGGBA2SI
SCHEMBL2492411 0.87 GBA1 (0.36) GBA1LCTUGCGGBA2SI
SCHEMBL2491320 0.84 ALDH1A1 (0.37) GBA1LCTUGCGGBA2SI
SCHEMBL2493521 0.83 CD274 (0.35) GBA1LCTUGCGGBA2SI
SCHEMBL2491451 0.81 PDE4B (0.37) SIMGAMTP53MAPK1RAB9A
SCHEMBL1879696 0.77 DPP4 (0.53) GBA1LCTUGCGGBA2SI
SCHEMBL2493484 0.74 CD274 (0.40) TP53MAPK1RAB9ADPP4TACR1
SCHEMBL2489421 0.72 PDE4B (0.38) SIMGAMTP53MAPK1RAB9A
SCHEMBL2492115 0.71 GBA1 (0.36) GBA1LCTUGCGGBA2SI
SCHEMBL8462694 0.71 DHFR (0.38) TP53DPP4PTGS1PTGS2

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 GBA1 1822/4885LCT 3245/4885UGCG 4109/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 GBA1 1792/4885LCT 3237/4885UGCG 4111/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R GBA1 1749/4885LCT 3274/4885UGCG 4126/4885

“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.