SCHEMBL4640431

SCHEMBL4640431

COc1cc(-c2cc3c(c(C(=O)O)c2)OCCO3)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
PLK1 P53350 1/20 0.48
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
ERN1 O75460 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL14099207 0.88 PLK1 (0.47) KDM4EPLK1ALDH1A1L3MBTL1POLB
SCHEMBL4642112 0.83 KDM4E (0.46) KDM4EALDH1A1L3MBTL1ERN1LMNA
SCHEMBL4737365 0.81 LMNA (0.45) KDM4EPLK1ALDH1A1L3MBTL1POLB
SCHEMBL4738832 0.81 SMN1; SMN2 (0.48) KDM4EPLK1ALDH1A1POLBLMNA
SCHEMBL4738182 0.79 ALDH1A1 (0.46) KDM4EPLK1ALDH1A1L3MBTL1POLB
SCHEMBL4735473 0.78 DHODH (0.47) KDM4EALDH1A1POLBCTNNB1WNT3A
SCHEMBL4737031 0.76 SMN1; SMN2 (0.50) KDM4EALDH1A1L3MBTL1POLBCTNNB1
SCHEMBL4735892 0.76 PRKAG1 (0.44) KDM4EPLK1ALDH1A1ERN1LMNA
SCHEMBL4737367 0.76 ACMSD (0.47) KDM4EALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL4735849 0.76 KDM4E (0.40) KDM4EPLK1ALDH1A1L3MBTL1POLB

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 2247/4885PLK1 1294/4885ALDH1A1 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.