SCHEMBL4601605

SCHEMBL4601605

O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(-c2ccc3c(c2)CCO3)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
POLB P06746 3/20 0.44
TACR3 P29371 4/20 0.44
TP53 P04637 2/20 0.43
DHODH Q02127 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPY1R P25929 1/20 0.42
RECQL P46063 1/20 0.42
NPY2R P49146 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL4602486 0.91 MAPT (0.55) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL4601284 0.83 TACR3 (0.53) MAPTKDM4EHPGDTACR3SMN1; SMN2
SCHEMBL4601467 0.83 KDM4E (0.57) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL4602563 0.83 KDM4E (0.57) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL4600729 0.83 TACR3 (0.49) MAPTHPGDALDH1A1POLBTACR3
SCHEMBL4602408 0.83 TP53 (0.55) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL5154442 0.81 TACR3 (0.57) MAPTKDM4EHPGDALDH1A1TACR3
SCHEMBL4602489 0.81 TP53 (0.51) MAPTKDM4EHPGDALDH1A1POLB
SCHEMBL14557563 0.80 KDM4E (0.56) MAPTKDM4EHPGDALDH1A1TACR3
SCHEMBL4601942 0.80 ITGB2 (0.50) MAPTKDM4EHPGDALDH1A1TACR3

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 MAPT 4047/4885KDM4E 2399/4885HPGD 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.