SCHEMBL4602408

SCHEMBL4602408

Cc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3ccccc3n2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.55
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.49
TACR3 P29371 6/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TACR2 P21452 2/20 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
SCHEMBL4602489 0.92 TP53 (0.51) TP53KDM4EALDH1A1MAPTHPGD
SCHEMBL4601284 0.89 TACR3 (0.53) KDM4EMAPTSMN1; SMN2HPGDHTT
SCHEMBL4600729 0.88 TACR3 (0.49) ALDH1A1MAPTHPGDTACR3POLB
SCHEMBL4602563 0.88 KDM4E (0.57) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL5154442 0.88 TACR3 (0.57) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4601467 0.88 KDM4E (0.57) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL14557563 0.86 KDM4E (0.56) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4601942 0.86 ITGB2 (0.50) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4601818 0.85 MAPT (0.54) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5151537 0.85 MEN1 (0.54) TP53KDM4EALDH1A1MAPTSMN1; SMN2

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 TP53 4286/4885KDM4E 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.