SCHEMBL5031391

SCHEMBL5031391

COC(=O)c1ccc2cc(CCCCCc3oc4cc(C(=O)O)ccc4c3C)oc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
PSMB8 P28062 1/20 0.36
LCK P06239 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TBXAS1 P24557 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
CREBBP Q92793 1/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
NQO2 P16083 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5030988 0.97 HDAC6 (0.38) HDAC6PSMB8LCKHDAC3HDAC1
SCHEMBL5032866 0.86 TBXAS1 (0.43) HDAC6TBXAS1KDM4ENQO2POLB
SCHEMBL5031390 0.84 HDAC6 (0.50) HDAC6PSMB8LCKHDAC3HDAC1
SCHEMBL5034769 0.83 TBXAS1 (0.44) HDAC6LCKTBXAS1KDM4ENQO2
SCHEMBL5030400 0.82 HDAC6 (0.51) HDAC6PSMB8LCKHDAC3HDAC1
SCHEMBL5030987 0.80 HDAC6 (0.51) HDAC6PSMB8LCKHDAC3HDAC1
SCHEMBL5031812 0.78 HDAC6 (0.54) HDAC6PSMB8LCKHDAC3HDAC1
SCHEMBL5674694 0.77 HDAC6 (0.48) HDAC6PSMB8HDAC3HDAC1HDAC2
SCHEMBL5034750 0.77 CYP4A11 (0.52) HDAC6PSMB8LCKHDAC3HDAC1
SCHEMBL5044528 0.76 TBXAS1 (0.47) HDAC6PSMB8TBXAS1KDM4ECREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 US 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 HDAC6 124/4885PSMB8 3576/4885LCK 3179/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HDAC6 124/4885PSMB8 3576/4885LCK 3179/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HDAC6 124/4885PSMB8 3576/4885LCK 3179/4885

“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.