SCHEMBL4602486

SCHEMBL4602486

O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
GAA P10253 3/20 0.55
POLB P06746 4/20 0.52
TP53 P04637 3/20 0.52
DHODH Q02127 1/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPY1R P25929 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL4601605 0.91 MAPT (0.47) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4601284 0.85 TACR3 (0.53) MAPTKDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL4602408 0.85 TP53 (0.55) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4602563 0.83 KDM4E (0.57) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4600729 0.83 TACR3 (0.49) MAPTALDH1A1HPGDPOLBTACR3
SCHEMBL5154442 0.83 TACR3 (0.57) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL4601467 0.83 KDM4E (0.57) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL14091959 0.83 NPC1 (0.48) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL4602489 0.83 TP53 (0.51) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL14557563 0.82 KDM4E (0.56) MAPTKDM4EALDH1A1HPGDTP53

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 2399/4885ALDH1A1 3830/4885

“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.