SCHEMBL4529945

SCHEMBL4529945

COc1ccc(Br)cc1C(=O)COC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.49
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GFER P55789 1/20 0.48
TSHR P16473 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL20855508 0.86 ALDH1A1 (0.51) KMT2AMEN1PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL83056 0.81 HPGDS (0.55) KMT2AMEN1PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL20855483 0.81 HMGCR (0.53) KMT2AMEN1PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL4528072 0.81 ALDH1A1 (0.52) KMT2AMEN1PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL5478330 0.80 ACHE (0.51) KMT2AMEN1PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL1821903 0.79 PTGDR2 (0.63) KMT2AMEN1PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL6669460 0.78 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL30362007 0.77 POLB (0.63) KMT2APTGDR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL1221627 0.77 POLB (0.63) KMT2APTGDR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL23292520 0.76 KCNH2 (0.49) KMT2AMEN1PTGDR2ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B KMT2A 2279/4885MEN1 3047/4885PTGDR2 243/4885

“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.