SCHEMBL4601710

SCHEMBL4601710

CCCOc1ccc(-c2ccc(CO)s2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SNCA P37840 13/20 0.41
POLB P06746 1/20 0.41
PTPN1 P18031 1/20 0.41
ECE1 P42892 1/20 0.40

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
SCHEMBL14557742 1.00 HPGDS (0.43) HPGDSMAPTHPGDALDH1A1MEN1
SCHEMBL14557659 0.89 HPGDS (0.41) HPGDSMAPTHPGDALDH1A1MEN1
SCHEMBL4599989 0.89 HPGDS (0.41) HPGDSMAPTHPGDALDH1A1MEN1
SCHEMBL14159167 0.87 MAPT (0.47) HPGDSMAPTHPGDALDH1A1MEN1
SCHEMBL4600996 0.87 SNCA (0.41) MAPTHPGDALDH1A1MEN1THRB
SCHEMBL14557737 0.86 AKT1 (0.44) HPGDSMAPTHPGDALDH1A1MEN1
SCHEMBL4600247 0.85 HDAC3 (0.36) MAPTHPGDMEN1KMT2AKDM4E
SCHEMBL14557739 0.85 ITGB2 (0.43) HPGDSMAPTHPGDALDH1A1MEN1
SCHEMBL5155663 0.85 MEN1 (0.36) HPGDSMAPTHPGDALDH1A1MEN1
SCHEMBL5155669 0.85 MEN1 (0.36) HPGDSMAPTHPGDALDH1A1MEN1

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 7 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
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 HPGDS 1308/4885MAPT 4047/4885HPGD 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.