SCHEMBL2116069

SCHEMBL2116069

CCCCCc1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.56
ESR2 Q92731 4/20 0.56
HRH3 Q9Y5N1 7/20 0.53
THRB P10828 4/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
THRA P10827 2/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD4 P21917 1/20 0.53
ACHE P22303 1/20 0.53
SLC6A2 P23975 1/20 0.53
HRH2 P25021 1/20 0.53
HTR2A P28223 1/20 0.53
ADRA1A P35348 1/20 0.53

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
SCHEMBL2112306 0.93 ESR1 (0.62) ESR1ESR2HRH3THRBALDH1A1
SCHEMBL2112820 0.88 ESR1 (0.64) ESR1ESR2ALDH1A1LMNACYP2D6
SCHEMBL2112383 0.85 ESR1 (0.59) ESR1ESR2MAPTLTA4HPSMB1
Hydrochloric Acid SCHEMBL2115234 0.83 ESR1 (0.60) ESR1ESR2ALDH1A1LTA4HPSMB1
SCHEMBL2111205 0.83 ESR1 (0.69) ESR1ESR2HRH3ALDH1A1LMNA
SCHEMBL2115656 0.83 LTA4H (0.62) ESR1ESR2ALDH1A1LTA4HPSMB1
SCHEMBL2113940 0.82 KDM4E (0.61) ESR1ESR2HRH3LTA4HPSMB1
Hydrochloric Acid SCHEMBL2113578 0.82 ESR1 (0.68) ESR1ESR2HRH3ALDH1A1LMNA
SCHEMBL2112716 0.82 LTA4H (0.64) ESR1ESR2ALDH1A1LTA4HPSMB1
SCHEMBL2112583 0.81 ESR1 (0.57) ESR1ESR2HRH3ALDH1A1LMNA

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 12 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-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
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 ESR1 7/4885ESR2 3/4885HRH3 1019/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885HRH3 1108/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885HRH3 1108/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885HRH3 1108/4885

“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.