SCHEMBL4501995

SCHEMBL4501995

CCN(CC)C(=O)/C=C(\C)c1ccc(OCCCSc2ccc(Cl)cc2)c2oc(C(C)=O)cc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.37
PDE4B Q07343 6/20 0.37
PDE4C Q08493 6/20 0.37
PDE4D Q08499 6/20 0.37
HPGD P15428 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LTB4R Q15722 7/20 0.36
LTB4R2 Q9NPC1 7/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 3/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL4501999 1.00 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL4496645 0.86 LTB4R (0.41) PDE4APDE4BPDE4CPDE4DLTB4R
SCHEMBL4496647 0.86 LTB4R (0.41) PDE4APDE4BPDE4CPDE4DLTB4R
SCHEMBL4506250 0.83 LTB4R (0.51) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL4506248 0.83 LTB4R (0.51) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL4506245 0.83 LTB4R (0.51) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL13600807 0.81 LTB4R (0.41) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL4504564 0.78 LTB4R (0.49) HPGDSMN1; SMN2NPC1TSHRRAB9A
SCHEMBL4504567 0.78 LTB4R (0.49) HPGDSMN1; SMN2NPC1TSHRRAB9A
SCHEMBL4504566 0.78 LTB4R (0.49) HPGDSMN1; SMN2NPC1TSHRRAB9A

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-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
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 PDE4A 2659/4885PDE4B 2775/4885PDE4C 3532/4885

“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.