SCHEMBL2493517

SCHEMBL2493517

OCCCOCc1cccc(-c2ccccc2F)c1-c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.35
UGCG Q16739 3/20 0.35
GBA2 Q9HCG7 3/20 0.35
CHRM3 P20309 1/20 0.34
PDCD1 Q15116 4/20 0.34
CD274 Q9NZQ7 4/20 0.34
IDO1 P14902 2/20 0.33
LCT P09848 2/20 0.33
SI P14410 2/20 0.33
MGAM O43451 1/20 0.33
PTPN1 P18031 1/20 0.33
PDK2 Q15119 2/20 0.32
ALDH1A1 P00352 2/20 0.31
GCGR P47871 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2491941 0.91 CHRM3 (0.35) GBA1UGCGGBA2CHRM3PDCD1
SCHEMBL2491327 0.87 IDO1 (0.38) GBA1UGCGGBA2IDO1PDK2
SCHEMBL2494538 0.84 IDO1 (0.40) CHRM3CD274IDO1PDK2ALDH1A1
SCHEMBL2339888 0.81 IDO1 (0.50) CHRM3IDO1ALDH1A1MAPTL3MBTL1
SCHEMBL2495686 0.81 ALDH1A1 (0.34) GBA1UGCGGBA2IDO1LCT
SCHEMBL2491496 0.80 SCN8A (0.36) GBA1UGCGGBA2CHRM3PDCD1
SCHEMBL2489505 0.78 HTR7 (0.38) GBA1UGCGGBA2IDO1ALDH1A1
SCHEMBL29233791 0.76 IDO1 (0.37) CHRM3IDO1ALDH1A1MAP2K1
SCHEMBL31150411 0.76 CHRM3 (0.34) CHRM3IDO1ALDH1A1MAP2K1
SCHEMBL1005828 0.75 IDO1 (0.47) GBA1UGCGGBA2CHRM3IDO1

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 1822/4885UGCG 4109/4885GBA2 2834/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 GBA1 1792/4885UGCG 4111/4885GBA2 2751/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R GBA1 1749/4885UGCG 4126/4885GBA2 2703/4885

“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.