SCHEMBL4601799

SCHEMBL4601799

COc1cc(-c2ccc(C(=O)O)s2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.65
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGDS O60760 1/20 0.49
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
TNFRSF1A P19438 1/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44

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
SCHEMBL14610869 0.88 ERN1 (0.65) ERN1ALDH1A1HPGDKDM4EGAA
SCHEMBL12767711 0.79 ERN1 (1.00) ERN1
SCHEMBL22068905 0.79 POLB (0.68) ERN1ALDH1A1HPGDPOLBRAB9A
SCHEMBL7024481 0.78 RARA (0.58) ERN1ALDH1A1HPGDPOLBRAB9A
SCHEMBL12474107 0.77 HSD17B1 (0.77) HSD17B1HSD17B2
SCHEMBL27760930 0.77 HPGD (0.62) ERN1ALDH1A1HPGDPOLBRAB9A
SCHEMBL2544746 0.76 KDM4E (0.69) ALDH1A1HPGDPOLBRAB9AMEN1
SCHEMBL2247416 0.74 HDAC6 (0.72) POLBRAB9AMEN1KMT2AHPGDS
SCHEMBL13826534 0.74 PDE7A (0.61) ERN1ALDH1A1HPGDMEN1KMT2A
SCHEMBL12497184 0.73 TUBB4A (0.53) ALDH1A1HPGDMEN1KMT2AKDM4E

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 ERN1 4704/4885ALDH1A1 3830/4885HPGD 2557/4885

“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.