SCHEMBL4600796

SCHEMBL4600796

COc1cc(-c2ccc(O)c(C(=O)O)c2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.57
ACMSD Q8TDX5 4/20 0.56
DHFR P00374 1/20 0.56
HNF4A P41235 1/20 0.56
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LCK P06239 2/20 0.53
ERN1 O75460 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TPMT P51580 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NEK2 P51955 1/20 0.47

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
SCHEMBL4602843 0.87 CFD (0.56) MCL1ALDH1A1GAAALOX15HSD17B10
SCHEMBL11696480 0.83 MCL1 (0.55) MCL1ACMSDDHFRHNF4AALDH1A1
SCHEMBL4615330 0.80 CFD (0.48) MCL1ALDH1A1HSD17B10CA12CA1
SCHEMBL4603132 0.80 NEK2 (0.56) MCL1ALDH1A1HSD17B10ERN1NEK2
SCHEMBL29904854 0.79 ACMSD (0.83) MCL1ACMSDDHFRHNF4AALDH1A1
SCHEMBL2771723 0.79 ACMSD (0.83) MCL1ACMSDDHFRHNF4AALDH1A1
SCHEMBL5885105 0.79 MCL1 (0.67) MCL1ACMSDDHFRHNF4ALCK
SCHEMBL29066065 0.78 TUBB4A (0.64) ALDH1A1GAALCKTDP1
SCHEMBL4601016 0.78 NEK2 (0.52) ALDH1A1GAAALOX15HSD17B10ERN1
SCHEMBL6720216 0.77 MEN1 (0.62) MCL1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R MCL1 4302/4885ACMSD 1330/4885DHFR 949/4885

“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.