SCHEMBL4508461

SCHEMBL4508461

C/C(=C/C(=O)N1CCOCC1)c1ccc2oc(/C(C)=C/C(=O)O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
TPSAB1 Q15661 3/20 0.41
TPSD1 Q9BZJ3 3/20 0.41
TPSG1 Q9NRR2 3/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 5/20 0.39
ACHE P22303 1/20 0.39
TERT O14746 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
PRMT1 Q99873 1/20 0.38

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
SCHEMBL4508465 1.00 RAB9A (0.48) RAB9ATPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL4508463 1.00 RAB9A (0.48) RAB9ATPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL4518006 0.90 RAB9A (0.51) RAB9ATPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL4517999 0.90 RAB9A (0.51) RAB9ATPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL4518007 0.90 RAB9A (0.51) RAB9ATPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL4507125 0.87 RAB9A (0.49) RAB9AALDH1A1NPC1USP2TP53
SCHEMBL4507132 0.87 RAB9A (0.49) RAB9AALDH1A1NPC1USP2TP53
SCHEMBL4507130 0.87 RAB9A (0.49) RAB9AALDH1A1NPC1USP2TP53
SCHEMBL4503150 0.80 ALDH1A1 (0.56) RAB9ATPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL4503157 0.80 ALDH1A1 (0.56) RAB9ATPSAB1TPSD1TPSG1ALDH1A1

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 RAB9A 4698/4885TPSAB1 60/4885TPSD1 280/4885

“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.