SCHEMBL5034769

SCHEMBL5034769

COC(=O)c1ccc2oc(CCCc3oc4ccc(C(=O)O)cc4c3C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.44
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
NQO2 P16083 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
HRH3 Q9Y5N1 3/20 0.35
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
GAA P10253 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PAX8 Q06710 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL5032866 0.97 TBXAS1 (0.43) TBXAS1TP53POLBTHRBNQO2
SCHEMBL5044528 0.88 TBXAS1 (0.47) TBXAS1TP53POLBTHRBNQO2
SCHEMBL5030988 0.86 HDAC6 (0.38) TBXAS1POLBTHRBNQO2KDM4E
SCHEMBL5034766 0.83 F2 (0.50) TP53POLBTHRBNQO2F2
SCHEMBL5031391 0.83 HDAC6 (0.37) TBXAS1POLBTHRBNQO2KDM4E
SCHEMBL5032872 0.81 F2 (0.50) TP53POLBTHRBNQO2F2
SCHEMBL5032864 0.80 F2 (0.49) TP53POLBTHRBNQO2F2
SCHEMBL5027947 0.78 F2 (0.56) TP53POLBTHRBNQO2F2
SCHEMBL5030384 0.78 CYP4A11 (0.52) TP53POLBTHRBNQO2F2
SCHEMBL5673192 0.78 F2 (0.47) TP53POLBTHRBF2F10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689732-A4 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS UNIV NORTH CAROLINA (US) 2008-10-22 EP disclosed
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 US disclosed
US-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-15 US disclosed
EP-1689732-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS The University of North Carolina at Chapel Hill (US) 2006-08-16 EP disclosed
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 US disclosed
WO-2005055935-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-23 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 (3 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-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT TBXAS1 79/4885TP53 3300/4885POLB 2508/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT TBXAS1 79/4885TP53 3300/4885POLB 2508/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT TBXAS1 79/4885TP53 3300/4885POLB 2508/4885

“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.