SCHEMBL4500399

SCHEMBL4500399

C/C(=C/C(=O)N1CCOCC1)c1cc2cccc(OC(c3ccccc3)c3ccccc3)c2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RXRA P19793 4/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.39
RARA P10276 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PTGS2 P35354 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
SCHEMBL4500397 1.00 RXFP1 (0.43) RXFP1LMNARECQLALDH1A1KDM4E
SCHEMBL4500402 1.00 RXFP1 (0.43) RXFP1LMNARECQLALDH1A1KDM4E
SCHEMBL4503299 0.91 LTB4R (0.46) RXFP1LMNARECQLALDH1A1KDM4E
SCHEMBL4503302 0.91 LTB4R (0.46) RXFP1LMNARECQLALDH1A1KDM4E
SCHEMBL4503296 0.91 LTB4R (0.46) RXFP1LMNARECQLALDH1A1KDM4E
SCHEMBL13600846 0.90 LMNA (0.40) RXFP1LMNARECQLALDH1A1KMT2A
SCHEMBL4511156 0.81 PDE4A (0.39) ALDH1A1KDM4EHTTKMT2ARAB9A
SCHEMBL4511150 0.81 PDE4A (0.39) ALDH1A1KDM4EHTTKMT2ARAB9A
SCHEMBL4511155 0.81 PDE4A (0.39) ALDH1A1KDM4EHTTKMT2ARAB9A
SCHEMBL4490270 0.80 RXFP1 (0.44) RXFP1LMNARECQLALDH1A1KDM4E

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 RXFP1 2240/4885LMNA 1175/4885RECQL 3702/4885

“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.