SCHEMBL5030384

SCHEMBL5030384

COC(=O)c1ccc2oc(CCCO)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.52
CYP4F2 P78329 3/20 0.48
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CREBBP Q92793 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL5032872 0.93 F2 (0.50) CYP4A11CYP4F2F2F10POLB
SCHEMBL5034766 0.93 F2 (0.50) CYP4A11F2F10POLBTP53
SCHEMBL5032864 0.92 F2 (0.49) CYP4A11CYP4F2F2F10POLB
SCHEMBL5027947 0.90 F2 (0.56) CYP4A11CYP4F2F2F10POLB
SCHEMBL5034750 0.89 CYP4A11 (0.52) CYP4A11CYP4F2POLBCA12CA2
SCHEMBL5673192 0.89 F2 (0.47) F2F10POLBTP53THRB
SCHEMBL5044528 0.88 TBXAS1 (0.47) F2F10POLBTP53THRB
SCHEMBL14386990 0.87 ALOX15 (0.45) F2F10POLBTP53THRB
SCHEMBL6298871 0.86 F2 (0.49) F2F10POLBTP53THRB
SCHEMBL24570865 0.86 HDAC6 (0.52) F2F10POLBTP53THRB

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 CYP4A11 4208/4885CYP4F2 2911/4885F2 2791/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT CYP4A11 4208/4885CYP4F2 2911/4885F2 2791/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT CYP4A11 4208/4885CYP4F2 2911/4885F2 2791/4885

“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.