SCHEMBL4249429

SCHEMBL4249429

COC(=O)c1ccc(CCc2ccc(OC)cc2)o1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
HSP90AA1 P07900 1/20 0.58
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
F2RL1 P55085 1/20 0.53
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL4257456 0.86 KMT2A (0.62) NPC1RAB9AHSP90AA1ALDH1A1F2RL1
SCHEMBL4259800 0.84 HTT (0.55) HTTNPC1RAB9AHSP90AA1MAPT
SCHEMBL11974036 0.80 HTT (0.71) HTTNPC1RAB9AHSP90AA1ALDH1A1
SCHEMBL26227594 0.80 HTT (0.71) HTTNPC1RAB9AHSP90AA1ALDH1A1
SCHEMBL26227589 0.79 HTT (0.69) HTTNPC1RAB9AHSP90AA1ALDH1A1
SCHEMBL31408180 0.79 L3MBTL1 (0.52) NPC1RAB9AHSP90AA1ALDH1A1KMT2A
SCHEMBL28266082 0.78 CA1 (0.78) NPC1RAB9AALDH1A1F2RL1KMT2A
SCHEMBL12294447 0.78 CA1 (0.78) NPC1RAB9AALDH1A1F2RL1KMT2A
SCHEMBL12018996 0.78 HTT (1.00) HTTNPC1RAB9AHSP90AA1ALDH1A1
SCHEMBL19991262 0.78 HTT (0.67) HTTNPC1RAB9AHSP90AA1ALDH1A1

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 HTT 725/4885NPC1 3348/4885RAB9A 1928/4885

“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.