SCHEMBL4252390

SCHEMBL4252390

O=C(O)c1ccc(OCc2ccccc2)c(CN2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.55
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
EGFR P00533 2/20 0.52
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PTGER1 P34995 3/20 0.50
HPGD P15428 1/20 0.47
HTT P42858 2/20 0.47
RECQL P46063 1/20 0.47
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
TP53 P04637 1/20 0.46
MPI P34949 1/20 0.46
SNCA P37840 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL4255471 0.91 CCR5 (0.55) CCR5HSD17B10ALDH1A1MAPTEGFR
SCHEMBL4256638 0.89 HSD17B10 (0.53) CCR5HSD17B10ALDH1A1MAPTEGFR
Hydrochloric Acid SCHEMBL4256880 0.83 RAB9A (0.55) HSD17B10ALDH1A1MAPTKDM4ELMNA
SCHEMBL27695152 0.81 DRD1 (0.59) CCR5ALDH1A1MAPTKDM4ELMNA
SCHEMBL15754634 0.80 HSD17B10 (0.53) HSD17B10ALDH1A1MAPTEGFRKDM4E
SCHEMBL166183 0.80 CCR5 (0.50) CCR5HSD17B10ALDH1A1MAPTEGFR
SCHEMBL166412 0.80 CCR5 (0.50) CCR5HSD17B10ALDH1A1MAPTEGFR
SCHEMBL16129680 0.79 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL15786275 0.79 EGFR (0.53) HSD17B10ALDH1A1MAPTEGFRKDM4E
SCHEMBL16099218 0.78 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ELMNASMN1; 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 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 CCR5 1039/4885HSD17B10 1250/4885ALDH1A1 559/4885

“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.