SCHEMBL2495694

SCHEMBL2495694

COc1ccc(-c2cccc(COCCO)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ABL1 P00519 2/20 0.41
ABCB1 P08183 2/20 0.41
BCR P11274 2/20 0.41
BACE1 P56817 1/20 0.40
ESR2 Q92731 1/20 0.39
PTGS2 P35354 1/20 0.38
ENPP1 P22413 1/20 0.38
CD274 Q9NZQ7 2/20 0.38
SYK P43405 2/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
APP P05067 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL430965 0.90 ABL1 (0.46) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL2489138 0.87 MAOB (0.40) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL6411289 0.84 FFAR1 (0.38) FFAR1FFAR4CD274APP
SCHEMBL2489493 0.82 HDAC4 (0.50) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL6894911 0.80 MAPT (0.37) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL9959026 0.77 ABL1 (0.46) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL7024625 0.77 ABL1 (0.46) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL1974122 0.77 ABL1 (0.46) HDAC4HDAC2HDAC8FFAR1FFAR4
SCHEMBL2494972 0.76 CD274 (0.47) CD274
SCHEMBL2357517 0.75 ESR2 (0.41) HDAC4HDAC2HDAC8ABL1ABCB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
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 HDAC4 2018/4885HDAC2 924/4885HDAC8 1044/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 HDAC4 2257/4885HDAC2 962/4885HDAC8 1374/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R HDAC4 2106/4885HDAC2 887/4885HDAC8 1281/4885

“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.