SCHEMBL2494964

SCHEMBL2494964

COc1ccccc1C(OCCCO)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
AGTR1 P30556 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
SCHEMBL2491447 0.91 KIF11 (0.40) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL2491593 0.90 CA1 (0.41) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL15841458 0.85 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4ESMN1; SMN2L3MBTL1
SCHEMBL1260567 0.85 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4ESMN1; SMN2L3MBTL1
SCHEMBL2493848 0.83 TAAR1 (0.43) ALDH1A1CA1CA2CA12CA4
SCHEMBL2494552 0.81 KIF11 (0.42) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL992027 0.81 KIF11 (0.42) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL2491343 0.79 ALDH1A1 (0.36) ALDH1A1KDM4ETSHRCTNNB1WNT3A
SCHEMBL2490799 0.79 KIF11 (0.52) ALDH1A1CA1CA2CA12CA4
SCHEMBL2492368 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10CA2CA12CA4

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 1292/4885HSD17B10 805/4885CA1 2856/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ALDH1A1 1031/4885HSD17B10 719/4885CA1 2767/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ALDH1A1 1187/4885HSD17B10 797/4885CA1 2762/4885

“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.