SCHEMBL2491447

SCHEMBL2491447

COc1ccccc1C(OCCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
NR3C2 P08235 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TK2 O00142 5/20 0.35
TK1 P04183 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL1260567 0.92 ALDH1A1 (0.42) KIF11NR3C2ALDH1A1HSD17B10HRH4
SCHEMBL15841458 0.92 ALDH1A1 (0.42) KIF11NR3C2ALDH1A1HSD17B10HRH4
SCHEMBL2494552 0.91 KIF11 (0.42) KIF11NR3C2ALDH1A1HSD17B10HTT
SCHEMBL2494964 0.91 ALDH1A1 (0.41) ALDH1A1HSD17B10LMNAKDM4ECA12
SCHEMBL992027 0.88 KIF11 (0.42) KIF11NR3C2ALDH1A1HSD17B10HTT
SCHEMBL2491452 0.85 KIF11 (0.51) KIF11NR3C2ALDH1A1HRH4TK2
SCHEMBL6849987 0.85 SMN1; SMN2 (0.40) KIF11ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL1260570 0.85 SMN1; SMN2 (0.40) KIF11ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL18704105 0.83 KIF11 (0.38) KIF11NR3C2ALDH1A1HSD17B10HTT
SCHEMBL7050159 0.82 KIF11 (0.40) KIF11NR3C2ALDH1A1HRH4HTT

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 1036/4885ALDH1A1 1292/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885NR3C2 889/4885ALDH1A1 1031/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885NR3C2 862/4885ALDH1A1 1187/4885

“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.