SCHEMBL2406793

SCHEMBL2406793

Cc1c(F)cccc1C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 1.00
ESR2 Q92731 8/20 1.00
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALB P02768 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37

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
SCHEMBL2115638 0.84 ESR1 (1.00) ESR1ESR2KDM4ERAB9ANPC1
SCHEMBL15490712 0.84 ESR1 (0.86) ESR1ESR2HSD17B1HSD17B2KDM4E
SCHEMBL14822008 0.81 ESR1 (0.72) ESR1ESR2HSD17B1HSD17B2KDM4E
SCHEMBL15290442 0.80 ESR1 (0.91) ESR1ESR2KDM4ERAB9ANPC1
SCHEMBL16593130 0.79 ESR1 (0.65) ESR1ESR2KDM4ESLC6A2SLC6A4
SCHEMBL15775276 0.76 ESR1 (0.61) ESR1ESR2HSD17B1HSD17B2SLC6A2
SCHEMBL16589776 0.75 ESR1 (0.67) ESR1ESR2HSD17B1HSD17B2KDM4E
SCHEMBL3442880 0.72 ESR1 (0.56) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL21401288 0.71 ESR1 (0.55) ESR1ESR2HSD17B1HSD17B2SLC6A2
SCHEMBL2113799 0.71 ESR1 (0.58) ESR1ESR2MAPTSMN1; SMN2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624161-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2017-04-18 US disclosed
US-9624161-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2017-04-18 US disclosed
US-9427418-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-30 US disclosed
US-9427418-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-30 US disclosed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-9051267-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2015-06-09 US disclosed
US-9051267-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2015-06-09 US disclosed
WO-2013043304-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2013-03-28 WO disclosed
EP-2538780-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF Gtx, Inc. (US) 2013-01-02 EP disclosed
US-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2012-03-29 US disclosed
US-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2012-03-29 US disclosed
WO-2011106317-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2011-09-01 WO disclosed
WO-2011106317-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2011-09-01 WO disclosed
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2010-10-21 US disclosed
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2010-10-21 US disclosed
WO-2010096801-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2010-08-26 WO disclosed
WO-2010096801-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2010-08-26 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-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GNRHR, LHCGR, SHBG ESR1 21/4885ESR2 15/4885HSD17B1 85/4885
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 ESR1 7/4885ESR2 3/4885HSD17B1 169/4885
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, GNRHR, FSHR ESR1 10/4885ESR2 9/4885HSD17B1 134/4885

“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.