SCHEMBL10116906

SCHEMBL10116906

Cc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)cc1F

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.72
ESR2 Q92731 7/20 0.72
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MTOR P42345 2/20 0.41
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNE1 P15382 2/20 0.39
KCNQ1 P51787 2/20 0.39
KCNQ5 Q9NR82 1/20 0.39

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
SCHEMBL10116875 0.96 ESR1 (0.74) ESR1ESR2HDAC1HDAC6HTT
SCHEMBL15489484 0.94 ESR1 (0.75) ESR1ESR2HDAC1HDAC6HTT
SCHEMBL2111934 0.85 HTT (0.61) ESR1ESR2HTTSMN1; SMN2MTOR
SCHEMBL2113569 0.84 ESR1 (1.00) ESR1ESR2
SCHEMBL12318272 0.84 ESR1 (0.86) ESR1ESR2
SCHEMBL2114738 0.81 ESR1 (0.77) ESR1ESR2
SCHEMBL2112286 0.81 ESR1 (0.67) ESR1ESR2HTTSMN1; SMN2
SCHEMBL15491997 0.81 ESR1 (0.67) ESR1ESR2HTTKCNQ3KCNQ2
Gtx-758 SCHEMBL29420202 0.80 ESR1 (1.00) ESR1ESR2
Gtx-758 SCHEMBL2112794 0.80 ESR1 (1.00) ESR1ESR2

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 10 patents. 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-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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2015-03-26 US disclosed
US-20140187641-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF Gtx (US) 2014-07-03 US disclosed
US-20140171468-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2014-06-19 US disclosed
US-20140057985-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF Gtx (US) 2014-02-27 US disclosed
US-20140057946-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF Gtx (US) 2014-02-27 US disclosed
US-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2012-03-29 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 (7 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 15/4885HDAC1 569/4885
US-20140187641-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, NR5A1 ESR1 26/4885ESR2 18/4885HDAC1 727/4885
US-20140057985-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, LHCGR ESR1 30/4885ESR2 20/4885HDAC1 476/4885
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 ESR1 7/4885ESR2 3/4885HDAC1 1922/4885
US-20140057946-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, LHCGR ESR1 30/4885ESR2 20/4885HDAC1 476/4885
US-20140171468-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, GNRHR, FSHR ESR1 10/4885ESR2 9/4885HDAC1 2814/4885
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, NR5A1 ESR1 26/4885ESR2 18/4885HDAC1 727/4885

“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.