SCHEMBL4601887

SCHEMBL4601887

COc1cc(-c2cc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)c3ccccc3n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ITGB2 P05107 6/20 0.59
ICAM1 P05362 6/20 0.59
ITGAL P20701 6/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.54
TACR3 P29371 1/20 0.53
TP53 P04637 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL5155965 1.00 MAPT (0.59) MAPTHPGDKDM4ESMN1; SMN2ITGB2
SCHEMBL5149314 0.93 ITGB2 (0.63) MAPTHPGDKDM4ESMN1; SMN2ITGB2
SCHEMBL5149298 0.93 ITGB2 (0.63) MAPTHPGDKDM4ESMN1; SMN2ITGB2
SCHEMBL4601464 0.89 MAPT (0.54) MAPTHPGDKDM4ESMN1; SMN2MEN1
SCHEMBL4601818 0.89 MAPT (0.54) MAPTHPGDKDM4ESMN1; SMN2MEN1
SCHEMBL14557835 0.88 MAPT (0.53) MAPTHPGDKDM4ESMN1; SMN2MEN1
SCHEMBL4601433 0.82 MAPT (0.51) MAPTHPGDKDM4ESMN1; SMN2MEN1
SCHEMBL5152256 0.82 ITGB2 (0.50) MAPTHPGDKDM4ESMN1; SMN2ITGB2
SCHEMBL14557577 0.82 MAPT (0.47) MAPTHPGDKDM4ESMN1; SMN2ITGB2
SCHEMBL4601437 0.82 MAPT (0.51) MAPTHPGDKDM4ESMN1; SMN2MEN1

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 3 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 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 MAPT 4047/4885HPGD 2557/4885KDM4E 2399/4885

“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.