SCHEMBL2114776

SCHEMBL2114776

O=C(c1ccc(O)cc1)N(c1ccc(O)cc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.54
CHRM3 P20309 6/20 0.54
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
ADAM17 P78536 1/20 0.46
NPC1 O15118 2/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.44
ENPP2 Q13822 1/20 0.42
ESR1 P03372 1/20 0.42
PDK1 Q15118 1/20 0.41

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
SCHEMBL7213531 0.81 ALDH1A1 (0.62) CHRM2CHRM3MEN1KMT2AALDH1A1
SCHEMBL4486860 0.81 MEN1 (0.68) MEN1KMT2AKDM4ELMNAALOX15
SCHEMBL9001635 0.79 CHRM2 (0.62) CHRM2CHRM3MEN1KMT2AALDH1A1
SCHEMBL8387718 0.78 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL4488042 0.78 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9845445 0.75 MEN1 (0.51) CHRM3MEN1KMT2AALDH1A1KDM4E
SCHEMBL13903891 0.74 ALDH1A1 (0.64) CHRM2CHRM3MEN1KMT2AALDH1A1
SCHEMBL7375602 0.74 TRPM8 (0.57) CHRM2CHRM3KDM4ENPC1RAB9A
SCHEMBL28238966 0.73 MEN1 (0.40) CHRM2CHRM3MEN1KMT2AALDH1A1
SCHEMBL28017518 0.73 CHRM2 (0.50) CHRM2CHRM3MEN1KMT2AALDH1A1

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 19 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
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 CN 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
CN-102702013-B Nuclear receptor binding agents GTX INC. (US) 2016-02-10 CN disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
CN-102351732-B Nuclear receptor binding agents GTX INC. (US) 2014-10-29 CN 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
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 CN 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
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 (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 CHRM2 2807/4885CHRM3 1526/4885MEN1 3937/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 CHRM2 980/4885CHRM3 481/4885MEN1 1408/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 CHRM2 980/4885CHRM3 481/4885MEN1 1408/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 CHRM2 980/4885CHRM3 481/4885MEN1 1408/4885

“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.