SCHEMBL6143465

SCHEMBL6143465

COc1cc(CCC(=O)O)cc(I)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.56
TRPV1 Q8NER1 2/20 0.52
PCNA P12004 2/20 0.50
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
TNKS2 Q9H2K2 2/20 0.47
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FFAR1 O14842 2/20 0.46
APP P05067 1/20 0.46
OR51E2 Q9H255 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
RXRA P19793 1/20 0.43
PPARG P37231 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL490990 0.89 ALOX5 (0.69) ALOX5POLBTNKS2NFKB1NFKB2
SCHEMBL1270234 0.87 PCNA (0.57) PCNATHRATHRBPOLBMAPK1
SCHEMBL25363485 0.85 ALOX5 (0.60) ALOX5POLBTNKS2NFKB1NFKB2
SCHEMBL5012985 0.84 THRA (0.60) ALOX5TRPV1PCNATHRATHRB
SCHEMBL14311297 0.81 ALOX5 (0.56) ALOX5TRPV1THRATHRBTNKS2
SCHEMBL17306533 0.80 ALOX5 (0.55) ALOX5TRPV1POLBTNKS2NFKB1
SCHEMBL1446398 0.79 FFAR1 (0.65) ALOX5PCNAFFAR1OR51E2GAA
SCHEMBL26617184 0.79 TRPV1 (0.52) ALOX5TRPV1THRATHRBTNKS2
SCHEMBL29353616 0.79 PCNA (0.50) PCNATHRATHRBPOLBMAPK1
SCHEMBL3675317 0.78 ALOX5 (0.51) ALOX5NFKB1FFAR1OR51E2ALDH1A1

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-6855822-B2 Reacting a substituted 2-iodo-3-hydroxy benzene with a terminal alkyne in presence of a transition metal catalyst, coupling two molecule of intermediate together VIVOQUEST, INC. (US) 2005-02-15 US disclosed
US-20040110949-A1 Benzo[b]furan dimers PRESIDIO PHARMACEUTICALS, INC. 2004-06-10 US disclosed
WO-2004000764-A2 BENZO(b)FURAN DIMERS VIVOQUEST, INC. (US) 2003-12-31 WO 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-20040110949-A1 Benzo[b]furan dimers BZW2, BZW1, BPTF ALOX5 1742/4885TRPV1 1211/4885PCNA 802/4885

“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.