SCHEMBL4601942

SCHEMBL4601942

COc1cc(OC)cc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3ccccc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
TACR3 P29371 11/20 0.49
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TACR2 P21452 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL5151537 0.94 MEN1 (0.54) ITGB2ICAM1ITGALTACR3MEN1
SCHEMBL5154442 0.93 TACR3 (0.57) ITGB2ICAM1ITGALTACR3MEN1
Tryptophanol SCHEMBL5155681 0.93 TACR3 (0.45) ITGB2ICAM1ITGALTACR3MEN1
SCHEMBL14557563 0.92 KDM4E (0.56) ITGB2ICAM1ITGALTACR3MEN1
SCHEMBL4601818 0.91 MAPT (0.54) TACR3MEN1KMT2AKDM4ELMNA
SCHEMBL4601464 0.91 MAPT (0.54) TACR3MEN1KMT2AKDM4ELMNA
SCHEMBL4602563 0.90 KDM4E (0.57) MEN1KMT2ATP53KDM4ELMNA
SCHEMBL4601467 0.90 KDM4E (0.57) MEN1KMT2ATP53KDM4ELMNA
SCHEMBL14557564 0.89 ITGB2 (0.54) ITGB2ICAM1ITGALTACR3MEN1
Tryptophanol SCHEMBL5155750 0.88 MEN1 (0.48) ITGB2ICAM1ITGALTACR3MEN1

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.