SCHEMBL2491515

SCHEMBL2491515

[CH2]c1cccc(-c2cccc3ccccc23)c1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
DNMT1 P26358 1/20 0.41
TYMP P19971 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP2A6 P11509 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
PTPN1 P18031 1/20 0.38
CES1 P23141 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
GSK3B P49841 1/20 0.37
ADK P55263 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3713792 0.87 DHFR (0.41) DHFRDNMT1TYMPPTPN1CES1
SCHEMBL810384 0.85 ALDH1A1 (0.43) DHFRALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL8107861 0.84 DHFR (0.48) DHFRDNMT1TYMPALDH1A1CYP2A6
SCHEMBL2030385 0.81 CYP17A1 (0.43) DHFRTYMPGPR84KDM4ECYP1A2
SCHEMBL25302086 0.79 ALDH1A1 (0.59) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL27953 0.79 ALDH1A1 (0.59) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL29350007 0.79 ALDH1A1 (0.59) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL29787010 0.78 DNMT1 (0.59) DHFRDNMT1TYMPALDH1A1CYP2A6
SCHEMBL196007 0.78 DNMT1 (0.59) DHFRDNMT1TYMPALDH1A1CYP2A6
SCHEMBL30768160 0.78 DHFR (0.47) DHFRDNMT1TYMPALDH1A1CYP2A6

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 DHFR 4456/4885DNMT1 4406/4885TYMP 3668/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 DHFR 4116/4885DNMT1 4266/4885TYMP 3255/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R DHFR 4227/4885DNMT1 4248/4885TYMP 3313/4885

“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.