SCHEMBL2493864

SCHEMBL2493864

OCCOCc1cccc(-c2ccccc2O)c1-c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
BCL2L1 Q07817 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 3/20 0.36
HSPA5 P11021 1/20 0.33
KEAP1 Q14145 1/20 0.32
PDK2 Q15119 1/20 0.31
CD274 Q9NZQ7 3/20 0.31
RECQL P46063 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
MAOA P21397 1/20 0.31
ANPEP P15144 1/20 0.31
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PDCD1 Q15116 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL2495686 0.91 ALDH1A1 (0.34) ALDH1A1HPGDBCL2L1HSD17B10IDO1
SCHEMBL2491945 0.80 FFAR1 (0.36) ALDH1A1PDK2CD274PDCD1
SCHEMBL2491941 0.80 CHRM3 (0.35) ALDH1A1IDO1PDK2CD274PDCD1
Di(Hydroxyethyl)Ether SCHEMBL10631967 0.79 ALDH1A1 (0.50) ALDH1A1HPGDBCL2L1HSD17B10IDO1
SCHEMBL2491930 0.78 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10IDO1CD274
SCHEMBL9638702 0.73 ANPEP (0.49) ALDH1A1HPGDBCL2L1HSD17B10IDO1
SCHEMBL8871794 0.73 TACR1 (0.50) ALDH1A1HPGDBCL2L1HSD17B10CD274
SCHEMBL2493517 0.72 GBA1 (0.35) ALDH1A1IDO1PDK2CD274PDCD1
SCHEMBL2491496 0.72 SCN8A (0.36) ALDH1A1PDK2CD274PDCD1
SCHEMBL4390436 0.71 ALDH1A1 (0.52) ALDH1A1HPGDBCL2L1HSD17B10IDO1

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 ALDH1A1 1292/4885HPGD 1749/4885BCL2L1 4246/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ALDH1A1 1031/4885HPGD 1563/4885BCL2L1 4261/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ALDH1A1 1187/4885HPGD 1618/4885BCL2L1 4241/4885

“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.