SCHEMBL2494552

SCHEMBL2494552

COc1ccccc1C(OCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
NR3C2 P08235 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHPS P49366 1/20 0.35
KCNA5 P22460 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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 0.97 KIF11 (0.42) KIF11NR3C2LMNAHTTCA1
SCHEMBL2491447 0.91 KIF11 (0.40) KIF11NR3C2LMNAHTTCA1
SCHEMBL2491593 0.90 CA1 (0.41) LMNACA1CA2CA12CA4
SCHEMBL18704105 0.88 KIF11 (0.38) KIF11NR3C2LMNAHTTALDH1A1
SCHEMBL1260567 0.85 ALDH1A1 (0.42) KIF11NR3C2LMNAHTTALDH1A1
SCHEMBL15841458 0.85 ALDH1A1 (0.42) KIF11NR3C2LMNAHTTALDH1A1
SCHEMBL2489422 0.84 KIF11 (0.64) KIF11NR3C2CA1CA2CA12
SCHEMBL9215761 0.84 KIF11 (0.42) KIF11NR3C2LMNAHTTCA1
Tetraethylene Glycol SCHEMBL2385287 0.84 ALDH1A1 (0.39) NR3C2LMNAHTTCA1CA2
SCHEMBL2491452 0.82 KIF11 (0.51) KIF11NR3C2ALDH1A1L3MBTL1

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 KIF11 4556/4885NR3C2 1036/4885LMNA 2547/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885NR3C2 889/4885LMNA 2843/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885NR3C2 862/4885LMNA 2187/4885

“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.