SCHEMBL5094331

SCHEMBL5094331

O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.59
ESR2 Q92731 4/20 0.59
ERAP1 Q9NZ08 1/20 0.58
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
PLEC Q15149 1/20 0.55
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALDH2 P05091 1/20 0.49
AKR1B1 P15121 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HSD17B3 P37058 1/20 0.49
SORD Q00796 1/20 0.49
MIF P14174 1/20 0.47

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
SCHEMBL31675804 0.89 ERAP1 (0.62) ESR1ESR2ERAP1MEN1USP2
SCHEMBL7164709 0.89 ERAP1 (0.62) ESR1ESR2ERAP1MEN1USP2
SCHEMBL7165990 0.86 ESR1 (0.74) ESR1ESR2ERAP1MEN1USP2
SCHEMBL7122395 0.86 CA1 (0.48) KMT2AKDM4EALDH1A1MAOAMAOB
SCHEMBL7127315 0.86 ESR2 (0.47) ESR1ESR2ERAP1KMT2ACA12
SCHEMBL5082203 0.83 ESR1 (0.82) ESR1ESR2ERAP1MEN1USP2
SCHEMBL31675834 0.83 ESR1 (0.82) ESR1ESR2ERAP1MEN1USP2
SCHEMBL7123887 0.83 CYP19A1 (0.60) MEN1POLBKMT2AKDM4EALDH1A1
SCHEMBL5088527 0.81 ESR1 (0.88) ESR1ESR2ERAP1CA12CA9
SCHEMBL8934513 0.81 ESR1 (0.88) ESR1ESR2ERAP1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 WO disclosed
US-6555523-B1 Such as 3',4'-diacetoxy-5,6,7-trimethoxyflavone or naringin in the treatment HIV, picornavirus, and/or respiratory virus CASCADE ESTATES LTD. (MU) 2003-04-29 US disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 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 (1 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 ESR1 258/4885ESR2 145/4885ERAP1 2734/4885

“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.