SCHEMBL2491593

SCHEMBL2491593

COc1ccccc1C(OCCO)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
LMNA P02545 2/20 0.38
AGTR1 P30556 1/20 0.38
CYP1A2 P05177 1/20 0.38
ENPP2 Q13822 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL992027 0.90 KIF11 (0.42) CA1CA2CA12CA4CA7
SCHEMBL2494552 0.90 KIF11 (0.42) CA1CA2CA12CA4CA7
SCHEMBL2494964 0.90 ALDH1A1 (0.41) CA1CA2CA12CA4CA7
SCHEMBL2490799 0.82 KIF11 (0.52) CA1CA2CA12CA4CA7
SCHEMBL18704105 0.82 KIF11 (0.38) ALDH1A1HSD17B10L3MBTL1CTNNB1WNT3A
SCHEMBL2491447 0.81 KIF11 (0.40) CA1CA2CA12CA4CA7
SCHEMBL2493848 0.79 TAAR1 (0.43) CA1CA2CA12CA4CA7
SCHEMBL15841458 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10L3MBTL1LMNAKDM4E
SCHEMBL1260567 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10L3MBTL1LMNAKDM4E
SCHEMBL2490811 0.78 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1GAACTNNB1

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 CA1 2856/4885CA2 333/4885CA12 2755/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CA1 2767/4885CA2 337/4885CA12 2521/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CA1 2762/4885CA2 356/4885CA12 2538/4885

“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.