SCHEMBL855657

SCHEMBL855657

COc1ccc(CNc2ccc(C(C)C)cc2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.58
DHFR P00374 1/20 0.52
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
ERBB2 P04626 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
IRAK1 P51617 1/20 0.48
RPS6KA3 P51812 1/20 0.48
ROCK1 Q13464 1/20 0.48
CDC42BPA Q5VT25 1/20 0.48
AURKB Q96GD4 1/20 0.48
CSNK1G3 Q9Y6M4 1/20 0.48

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
SCHEMBL27948920 0.88 APLNR (0.69) APLNRDHFRMAPTGAAMEN1
SCHEMBL15400259 0.82 APLNR (0.61) APLNRDHFRMAPTGAAMEN1
SCHEMBL11983159 0.82 APLNR (0.65) APLNRDHFRMAPTMEN1KMT2A
SCHEMBL15896223 0.81 APLNR (0.63) APLNRDHFRMAPTGAAMEN1
SCHEMBL21639656 0.78 CA1 (0.72) APLNRDHFRMAPTMEN1KMT2A
SCHEMBL16119630 0.78 APLNR (0.63) APLNRDHFRMAPTGAAMEN1
SCHEMBL1844973 0.77 MAPT (0.66) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL27923207 0.77 MAPT (0.62) APLNRDHFRMAPTGAAMEN1
SCHEMBL17251856 0.77 APLNR (0.50) APLNRMEN1KMT2ARAB9ANPC1
SCHEMBL3452965 0.76 CYP1A2 (0.74) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 EP 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 (1 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 APLNR 946/4885DHFR 3816/4885MAPT 205/4885

“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.