SCHEMBL2113063

SCHEMBL2113063

C[C@](O)(CBr)C(=O)Nc1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
CA12 O43570 1/20 0.48
BRD4 O60885 1/20 0.48
NR1I2 O75469 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MB P02144 1/20 0.48
CYP1A1 P04798 1/20 0.48
CA3 P07451 1/20 0.48
CYP3A4 P08684 1/20 0.48
RARG P13631 1/20 0.48
TSHR P16473 1/20 0.48
ALOX5AP P20292 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2113065 1.00 AR (0.56) ARL3MBTL1MAPTALDH1A1MEN1
SCHEMBL2112345 0.90 PDK1 (0.56) ARL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3429261 0.86 AR (0.56) ARL3MBTL1MEN1KMT2AKDM4E
SCHEMBL14273995 0.84 PDK1 (0.57) ARL3MBTL1MAPTGAA
SCHEMBL2112169 0.82 PDK1 (0.61) ARL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2112168 0.82 PDK1 (0.61) ARL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2112262 0.81 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1MEN1CA12
SCHEMBL2113632 0.81 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1MEN1CA12
SCHEMBL2112220 0.78 AR (0.55) AR
SCHEMBL2112222 0.78 AR (0.55) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US claimed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US claimed
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-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
CN-102702013-A Nuclear receptor binding agents GTX INC 2012-10-03 CN disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
EP-2455362-A1 Nuclear receptor binding agents GTX, Inc. (US) 2012-05-23 EP disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
CN-102351732-A Nuclear receptor binding agents GTX INC 2012-02-15 CN disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US disclosed
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 CN disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 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 (4 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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 AR 29/4885L3MBTL1 3962/4885MAPT 4637/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 AR 18/4885L3MBTL1 3608/4885MAPT 869/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 AR 18/4885L3MBTL1 3608/4885MAPT 869/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 AR 18/4885L3MBTL1 3608/4885MAPT 869/4885

“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.