SCHEMBL4600813

SCHEMBL4600813

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
PTPN11 Q06124 5/20 0.48
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
KDM4E B2RXH2 1/20 0.43
APAF1 O14727 1/20 0.43
RECQL P46063 1/20 0.43
CASP6 P55212 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MCL1 Q07820 1/20 0.43
CASP8 Q14790 1/20 0.43
NEK2 P51955 1/20 0.41
CFD P00746 1/20 0.41
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL5149296 0.84 PTPN11 (0.56) PTPN11PTPN1PTPN6PDE4APDE4B
SCHEMBL4603132 0.81 NEK2 (0.56) PTPN11PTPN1PTPN6KDM4EAPAF1
SCHEMBL4602843 0.81 CFD (0.56) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL4615330 0.76 CFD (0.48) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL4602218 0.76 ALOX5 (0.51) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL5154648 0.75 PTPN11 (0.60) PTPN11PTPN1PTPN6PDE4APDE4B
SCHEMBL4600796 0.73 MCL1 (0.57) MCL1NEK2
SCHEMBL5151426 0.72 NEK2 (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4603254 0.72 TSHR (0.59) PTPN11PTPN1PTPN6PDE4APDE4B
SCHEMBL2769498 0.72 CFD (0.67) PTPN11KDM4EAPAF1RECQLCASP6

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 PTGES 2939/4885PTPN11 3529/4885PTPN1 3489/4885

“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.