SCHEMBL4259804

SCHEMBL4259804

COC(=O)c1ccc(CC2CCN(Cc3ccccc3)CC2)o1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GAA P10253 1/20 0.54
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.53
CCR3 P51677 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 1/20 0.52
CHRM4 P08173 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CXCR4 P61073 1/20 0.51
FAAH O00519 1/20 0.51
ACHE P22303 1/20 0.51

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
SCHEMBL4256865 0.89 CCR3 (0.55) ALDH1A1NPSR1CCR3
SCHEMBL4255676 0.87 CCR3 (0.60) ALDH1A1GAAKDM4ECCR3MEN1
SCHEMBL4257514 0.80 ALDH1A1 (0.54) ALDH1A1NPSR1KDM4ECHRM4
SCHEMBL28657592 0.77 HDAC3 (0.73) ALDH1A1KDM4EMEN1KMT2ACHRM4
SCHEMBL29826183 0.76 KDM4E (0.52) ALDH1A1NPSR1KDM4E
SCHEMBL14814041 0.76 ALDH1A1 (0.62) ALDH1A1NPSR1KDM4EMAPK1CHRM4
SCHEMBL2980930 0.75 DRD2 (0.67) CCR3CXCR4ACHE
SCHEMBL4249601 0.75 CCR3 (0.62) CCR3
SCHEMBL28642184 0.74 HDAC3 (0.77) MEN1KMT2ACHRM4ACHE
SCHEMBL30798965 0.74 DRD2 (0.69) KDM4EHSD17B10CHRM4FAAHACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 US disclosed
EP-1710233-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-10-11 EP 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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F ALDH1A1 559/4885NPSR1 68/4885GAA 2532/4885

“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.