SCHEMBL5031503

SCHEMBL5031503

COc1cccc(C2(C)Cc3ccc(C(=O)O)cc3O2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
RXRA P19793 2/20 0.41
MITF O75030 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
CSNK2A1 P68400 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CYP2C8 P10632 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL5031443 0.87 CA1 (0.46) HIF1AKDM4ENPC1RAB9ARXRA
SCHEMBL4460431 0.77 HCAR2 (0.49) HCAR2KDM4ENPC1RAB9AMITF
SCHEMBL8940100 0.72 RXRA (0.49) KDM4ERXRAGAAMAPT
SCHEMBL5320647 0.70 RXRA (0.47) KDM4ERXRAMAPT
SCHEMBL29351426 0.69 CES2 (0.74) KDM4ENPC1RAB9AMITFMRGPRX4
SCHEMBL63427 0.69 CES2 (0.74) KDM4ENPC1RAB9AMITFMRGPRX4
SCHEMBL6827745 0.69 CES2 (0.74) KDM4ENPC1RAB9AMITFMRGPRX4
SCHEMBL28676057 0.68 PPIB (0.49) KDM4ENPC1RAB9AGAAMAPT
SCHEMBL11162269 0.68 SLC6A2 (0.55) HCAR2NPC1RAB9A
SCHEMBL14898030 0.67 RXRA (0.47) KDM4ERXRAGAAMAPT

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 HCAR2 3342/4885HIF1A 2376/4885KDM4E 2473/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HCAR2 3342/4885HIF1A 2376/4885KDM4E 2473/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HCAR2 3342/4885HIF1A 2376/4885KDM4E 2473/4885

“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.