SCHEMBL2491945

SCHEMBL2491945

Cc1ccccc1-c1cccc(COCCO)c1-c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CD274 Q9NZQ7 5/20 0.36
PDCD1 Q15116 2/20 0.36
CHRM3 P20309 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MYC P01106 1/20 0.32
GBA1 P04062 1/20 0.32
UGCG Q16739 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
HTR7 P34969 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 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
SCHEMBL2491496 0.91 SCN8A (0.36) FFAR1FFAR4CD274PDCD1CHRM3
SCHEMBL4669318 0.87 FFAR1 (0.45) FFAR1FFAR4CD274PDCD1CHRM3
SCHEMBL2495001 0.85 TAAR1 (0.40) FFAR1FFAR4CD274SCN8APDK2
SCHEMBL2491638 0.82 TAAR1 (0.38) FFAR1FFAR4SCN8AMYCGBA1
SCHEMBL2337879 0.80 CHRM3 (0.47) CHRM3ALDH1A1GBA1KDM4E
SCHEMBL2493864 0.80 ALDH1A1 (0.36) CD274PDCD1PDK2ALDH1A1
SCHEMBL2491930 0.79 ALDH1A1 (0.44) CD274ALDH1A1HTR7KDM4E
SCHEMBL2491941 0.79 CHRM3 (0.35) CD274PDCD1CHRM3PDK2ALDH1A1
SCHEMBL1315211 0.78 FFAR1 (0.36) FFAR1FFAR4CD274PDCD1SCN8A
SCHEMBL4670353 0.77 FFAR1 (0.46) FFAR1FFAR4CHRM3SCN8AALDH1A1

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 FFAR1 3645/4885FFAR4 4484/4885CD274 3091/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 FFAR1 3326/4885FFAR4 4225/4885CD274 2885/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R FFAR1 3379/4885FFAR4 4231/4885CD274 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.