SCHEMBL4600522

SCHEMBL4600522

CCCCNC(=O)Oc1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.62
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL28052009 0.91 L3MBTL1 (0.59) MGLLKMT2A
SCHEMBL14329550 0.90 ALDH1A1 (0.64) ALDH1A1KMT2AHSD17B10
SCHEMBL6228259 0.85 KMT2A (0.59) KMT2A
SCHEMBL1690679 0.84 MGLL (0.68) MGLL
SCHEMBL27917196 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AHSD17B10
SCHEMBL1891640 0.82 MGLL (0.66) MGLL
SCHEMBL2314583 0.80 KMT2A (0.51) ALDH1A1KMT2A
SCHEMBL11668425 0.80 MGLL (0.77) MGLL
SCHEMBL9171014 0.78 FAAH (0.59) MGLL
SCHEMBL6298063 0.78 KMT2A (0.50) ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MGLL 2666/4885ALDH1A1 3830/4885KMT2A 916/4885

“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.