SCHEMBL2111934

SCHEMBL2111934

Cc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ESR1 P03372 7/20 0.59
ESR2 Q92731 7/20 0.59
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CYP1A2 P05177 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
SCHEMBL2112286 0.88 ESR1 (0.67) HTTSMN1; SMN2ESR1ESR2MAPT
SCHEMBL10116906 0.85 ESR1 (0.72) HTTSMN1; SMN2ESR1ESR2MTOR
SCHEMBL2114071 0.84 ESR1 (0.53) HTTSMN1; SMN2ESR1ESR2MAPT
SCHEMBL10116875 0.82 ESR1 (0.74) HTTSMN1; SMN2ESR1ESR2ALDH1A1
SCHEMBL2112590 0.81 ESR1 (0.68) HTTESR1ESR2MAPTLMNA
SCHEMBL15489484 0.81 ESR1 (0.75) HTTSMN1; SMN2ESR1ESR2CES2
SCHEMBL2113858 0.80 ESR2 (0.63) HTTSMN1; SMN2ESR1ESR2MAPT
SCHEMBL2112729 0.79 ESR1 (0.54) HTTSMN1; SMN2ESR1ESR2RAB9A
SCHEMBL2113690 0.79 ESR1 (0.73) SMN1; SMN2ESR1ESR2MAPTTDP1
SCHEMBL12318272 0.75 ESR1 (0.86) ESR1ESR2MAPTLMNARAB9A

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 16 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
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO claimed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 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
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
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US disclosed
US-20070135407-A1 Serm reduction of lipid profiles GTX, INC 2007-06-14 US disclosed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 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 (5 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 HTT 4500/4885SMN1; SMN2 4468/4885ESR1 7/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 HTT 4070/4885SMN1; SMN2 2521/4885ESR1 5/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 HTT 4070/4885SMN1; SMN2 2521/4885ESR1 5/4885
US-20070135407-A1 Serm reduction of lipid profiles SHBG, NR5A1, APOB HTT 3603/4885SMN1; SMN2 2318/4885ESR1 153/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 HTT 4070/4885SMN1; SMN2 2521/4885ESR1 5/4885

“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.