SCHEMBL4640370

SCHEMBL4640370

COc1cc(-c2cc3c(c(C(=O)O)c2)OCC=C3)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
PKM P14618 1/20 0.39
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 1/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NEK2 P51955 2/20 0.36
ERN1 O75460 1/20 0.35
TPMT P51580 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 3/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 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
SCHEMBL4643649 0.89 KDM4E (0.41) KDM4EMEN1KMT2ACYP19A1HPGD
SCHEMBL4786811 0.85 ERN1 (0.40) KDM4EPKMALDH1A1SMN1; SMN2HPGD
SCHEMBL4641431 0.83 HPGD (0.37) KDM4EALDH1A1CYP19A1HPGDHSD17B10
SCHEMBL4641291 0.77 COXFA4 (0.44) KDM4EPKMALDH1A1
SCHEMBL4641420 0.77 PKM (0.39) KDM4EPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL4640431 0.75 KDM4E (0.56) KDM4EPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL4642112 0.74 KDM4E (0.46) KDM4EPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL4642089 0.71 FFAR1 (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4641334 0.71 CYP1A1 (0.33)
SCHEMBL4643594 0.70 PDK2 (0.39) SMN1; SMN2

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
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 KDM4E 2247/4885PKM 3876/4885ALDH1A1 3513/4885

“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.