SCHEMBL4518249

SCHEMBL4518249

CC(=O)c1cc2c(/C(C)=C/C(=O)N3CCN(Cc4ccccc4)CC3)ccc(OC(c3ccccc3)c3ccccc3)c2o1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40
MAOB P27338 5/20 0.39
MAOA P21397 4/20 0.39
BCHE P06276 3/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL4518254 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHTTACHEMEN1
SCHEMBL4508625 0.92 LTB4R (0.43) ALDH1A1MAPTHTTACHEMEN1
SCHEMBL4508618 0.92 LTB4R (0.43) ALDH1A1MAPTHTTACHEMEN1
SCHEMBL4508623 0.92 LTB4R (0.43) ALDH1A1MAPTHTTACHEMEN1
SCHEMBL4500639 0.89 RXFP1 (0.39) ALDH1A1MAPTHTTACHEMEN1
SCHEMBL4500636 0.89 RXFP1 (0.39) ALDH1A1MAPTHTTACHEMEN1
SCHEMBL4511150 0.88 PDE4A (0.39) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL4511155 0.88 PDE4A (0.39) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL4508635 0.81 LTB4R (0.43) ALDH1A1MAPTHTTACHEMEN1
SCHEMBL4508637 0.81 LTB4R (0.43) ALDH1A1MAPTHTTACHEMEN1

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 ALDH1A1 658/4885MAPT 1497/4885HTT 2972/4885

“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.