SCHEMBL7116288

SCHEMBL7116288

Cc1c(-c2ccccc2Cl)c(=O)oc2cc(O)ccc12

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.81
ESR1 P03372 3/20 0.81
ERAP1 Q9NZ08 2/20 0.67
HSD17B3 P37058 6/20 0.62
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
MIF P14174 1/20 0.56
NPC1 O15118 1/20 0.55
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
GLA P06280 1/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL7462068 0.86 ESR1 (0.60) ESR2ESR1ERAP1HSD17B3CA12
SCHEMBL5088527 0.86 ESR1 (0.88) ESR2ESR1ERAP1HSD17B3CA12
SCHEMBL7125098 0.83 ESR1 (0.55) ESR2ESR1ERAP1CA12CA9
SCHEMBL31675804 0.83 ERAP1 (0.62) ESR2ESR1ERAP1HSD17B3CA12
SCHEMBL7164709 0.83 ERAP1 (0.62) ESR2ESR1ERAP1HSD17B3CA12
SCHEMBL7121802 0.82 ALDH1A1 (0.64) ESR2ESR1NPC1KDM4EGAA
SCHEMBL5109410 0.82 ESR1 (0.81) ESR2ESR1ERAP1HSD17B3NPC1
SCHEMBL5107909 0.82 ESR1 (0.67) ESR2ESR1ERAP1HSD17B3NPC1
SCHEMBL7120589 0.81 ESR2 (0.53) ESR2ESR1ERAP1CA12CA9
SCHEMBL13241261 0.81 ESR1 (1.00) ESR2ESR1ERAP1HSD17B3CA12

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
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
WO-2016174551-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-11-03 WO disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 US 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 (2 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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 ESR2 3/4885ESR1 1/4885ERAP1 1675/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 ESR2 3/4885ESR1 1/4885ERAP1 1675/4885

“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.