SCHEMBL2111906

SCHEMBL2111906

COc1ccc(N(C(=O)c2cccc(OC)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
PARP1 P09874 1/20 0.56
HSD17B2 P37059 2/20 0.54
HSD17B1 P14061 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 3/20 0.49
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
PKM P14618 1/20 0.48
ESR1 P03372 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
SCHEMBL2113064 0.95 CES2 (0.54) CES2CES1PARP1HSD17B2HSD17B1
SCHEMBL2113330 0.90 CES2 (0.59) CES2CES1PARP1HSD17B2HSD17B1
SCHEMBL6300805 0.88 HSD17B2 (0.59) CES2CES1HSD17B2HSD17B1KMT2A
SCHEMBL2113138 0.88 HSD17B2 (0.66) CES2CES1PARP1HSD17B2HSD17B1
SCHEMBL11218744 0.86 HSD17B2 (0.68) CES2CES1PARP1HSD17B2HSD17B1
SCHEMBL2112872 0.85 KDM4E (0.63) CES2CES1KMT2AMEN1NPC1
SCHEMBL2112561 0.83 KDM4E (0.66) CES2CES1HSD17B2HSD17B1KMT2A
SCHEMBL2112170 0.83 HSD17B2 (0.64) CES2CES1HSD17B2HSD17B1KMT2A
SCHEMBL2112462 0.83 KDM4E (0.59) CES2CES1PARP1HSD17B2HSD17B1
SCHEMBL2113120 0.83 HSD17B2 (0.56) CES2CES1PARP1HSD17B2HSD17B1

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-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
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 CES2 2413/4885CES1 498/4885PARP1 3734/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 CES2 3485/4885CES1 958/4885PARP1 3799/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 CES2 3485/4885CES1 958/4885PARP1 3799/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 CES2 3485/4885CES1 958/4885PARP1 3799/4885

“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.