SCHEMBL4601997

SCHEMBL4601997

COc1cc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3cc(F)ccc3n2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47
ITGAL P20701 2/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
UBE2I P63279 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
HDAC3 O15379 1/20 0.42

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
SCHEMBL4601316 0.94 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601317 0.94 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601315 0.94 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL5151791 0.92 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL5151787 0.92 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL5151797 0.92 MAPT (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601464 0.92 MAPT (0.54) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4601818 0.92 MAPT (0.54) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL5152256 0.92 ITGB2 (0.50) ITGB2ICAM1ITGALMAPTPOLB
SCHEMBL14557577 0.92 MAPT (0.47) ITGB2ICAM1ITGALMAPTPOLB

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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
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 ITGB2 4080/4885ICAM1 4413/4885ITGAL 4079/4885

“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.