SCHEMBL5032872

SCHEMBL5032872

COC(=O)c1ccc2oc(CCCCc3cc4cc(C(=O)OC)ccc4o3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
CYP4A11 Q02928 3/20 0.44
CYP4F2 P78329 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CREBBP Q92793 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
PSMB8 P28062 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
SCHEMBL5032864 0.99 F2 (0.49) F2F10TP53POLBTHRB
SCHEMBL5034766 0.97 F2 (0.50) F2F10TP53POLBTHRB
SCHEMBL5027947 0.94 F2 (0.56) F2F10TP53POLBTHRB
SCHEMBL14386990 0.93 ALOX15 (0.45) F2F10TP53POLBTHRB
SCHEMBL5030384 0.93 CYP4A11 (0.52) F2F10TP53POLBTHRB
SCHEMBL5673192 0.93 F2 (0.47) F2F10TP53POLBTHRB
SCHEMBL5044528 0.92 TBXAS1 (0.47) F2F10TP53POLBTHRB
SCHEMBL6298871 0.90 F2 (0.49) F2F10TP53POLBTHRB
SCHEMBL5030400 0.88 HDAC6 (0.51) CYP4A11CYP4F2HDAC6CREBBPCA12
SCHEMBL5031390 0.87 HDAC6 (0.50) CYP4A11CYP4F2HDAC6CREBBPCA12

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 7 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-7417158-B2 Mycobacterium tuberculosis infection; protozoan pathogens; fungal pathogens THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-26 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 F2 2791/4885F10 2781/4885TP53 3300/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT F2 2791/4885F10 2781/4885TP53 3300/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT F2 2791/4885F10 2781/4885TP53 3300/4885

“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.