SCHEMBL2490249

SCHEMBL2490249

COc1ccc(C(NCCCO)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
AOC3 Q16853 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL9439820 0.94 KIF11 (0.47) LMNAMERTKKIF11KCNH2MEN1
SCHEMBL2489144 0.91 LMNA (0.45) NPC1RAB9ALMNAALDH1A1ALOX15
SCHEMBL8053146 0.88 KIF11 (0.45) NPC1RAB9ALMNAMERTKCHRM2
SCHEMBL4156500 0.88 NPC1 (0.43) NPC1RAB9ALMNAALDH1A1ALOX15
SCHEMBL10309879 0.88 KIF11 (0.45) NPC1RAB9ALMNAMERTKCHRM2
SCHEMBL6302955 0.88 KIF11 (0.45) NPC1RAB9ALMNAMERTKCHRM2
SCHEMBL12225852 0.85 KIF11 (0.49) LMNAALDH1A1MAPK1MAPTGAA
SCHEMBL4363002 0.85 KIF11 (0.49) LMNAALDH1A1MAPK1MAPTGAA
SCHEMBL25949223 0.83 HDAC3 (0.45) NPC1RAB9ALMNAALDH1A1ALOX15
SCHEMBL888258 0.82 KIF11 (0.44) NPC1RAB9ALMNAMERTKKIF11

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 NPC1 3118/4885RAB9A 923/4885LMNA 2547/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 NPC1 2913/4885RAB9A 1013/4885LMNA 2843/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R NPC1 2906/4885RAB9A 1118/4885LMNA 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.