SCHEMBL2113086

SCHEMBL2113086

COc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PLK1 P53350 1/20 0.52
HPGDS O60760 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CDC25B P30305 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
STAT6 P42226 1/20 0.50
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
CAPN1 P07384 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 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
SCHEMBL11843157 0.79 CDC25B (0.56) MAPTLMNAHTTNPSR1PLK1
SCHEMBL27982028 0.79 CYP2C9 (0.61) MAPTLMNAHTTNPSR1PLK1
SCHEMBL2113799 0.74 ESR1 (0.58) MAPTHTTNPSR1PLK1ALDH1A1
SCHEMBL4469856 0.73 CDC25B (0.78) MAPTLMNAHTTNPSR1PLK1
SCHEMBL4518755 0.73 PLK1 (0.67) MAPTLMNAHTTNPSR1PLK1
SCHEMBL7842295 0.73 PLK1 (0.67) MAPTLMNAHTTNPSR1PLK1
SCHEMBL24101354 0.72 PLK1 (0.70) MAPTLMNAHTTNPSR1PLK1
Hydrochloric Acid SCHEMBL11445757 0.72 CDC25B (0.76) MAPTLMNAHTTNPSR1PLK1
SCHEMBL4028585 0.72 PLK1 (0.65) MAPTLMNAHTTNPSR1PLK1
SCHEMBL535326 0.72 PLK1 (0.65) MAPTLMNAHTTNPSR1PLK1

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 14 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
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP claimed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US claimed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 WO 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
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
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO 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 MAPT 4637/4885LMNA 2463/4885HTT 4500/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MAPT 869/4885LMNA 3848/4885HTT 4070/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MAPT 869/4885LMNA 3848/4885HTT 4070/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 MAPT 869/4885LMNA 3848/4885HTT 4070/4885

“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.