SCHEMBL4518630

SCHEMBL4518630

CCOC(=O)CCCOc1cccc2cc(C(Cl)=CC=O)oc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.51
CNR2 P34972 5/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 2/20 0.38
DHFR P00374 1/20 0.38
PTPN1 P18031 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL13600952 1.00 F2RL3 (0.51) F2RL3CNR2LMNARECQLCYSLTR2
SCHEMBL4518627 1.00 F2RL3 (0.51) F2RL3CNR2LMNARECQLCYSLTR2
SCHEMBL4497419 0.84 LMNA (0.57) F2RL3CNR2LMNARECQLCYSLTR2
SCHEMBL4518637 0.82 F2RL3 (0.45) F2RL3LMNAKMT2AALDH1A1HRH3
SCHEMBL13601033 0.78 F2RL3 (0.49) F2RL3CNR2LMNARECQLCYSLTR2
SCHEMBL13601034 0.78 F2RL3 (0.49) F2RL3CNR2LMNARECQLCYSLTR2
SCHEMBL13600838 0.77 F2RL3 (0.49) F2RL3CNR2LMNARECQLCYSLTR2
SCHEMBL4508550 0.77 LMNA (0.62) LMNARECQLKMT2AALDH1A1MEN1
SCHEMBL4508553 0.77 LMNA (0.62) LMNARECQLKMT2AALDH1A1MEN1
SCHEMBL13600826 0.75 F2RL3 (0.49) F2RL3LMNARECQLKMT2AALDH1A1

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
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-20060194851-A1 Benzofuran compound and medicinal composition containing the same NEW INDUSTRY RESEARCH ORGANIZATION, THE (JP) 2006-08-31 US disclosed
EP-1627873-A1 BENZOFURAN COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME The New Industry Research Organization (JP) 2006-02-22 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-20060194851-A1 Benzofuran compound and medicinal composition containing the same LTB4R2, LTC4S, LTB4R F2RL3 364/4885CNR2 514/4885LMNA 1175/4885

“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.