SCHEMBL4095524

SCHEMBL4095524

O=C(c1ccc(O)cc1)N(c1ccc(O)cc1)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.58
ESR2 Q92731 8/20 0.58
ABCG2 Q9UNQ0 1/20 0.40
CES2 O00748 1/20 0.39
NR3C2 P08235 2/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL865178 0.83 ESR1 (0.59) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL2113060 0.79 ESR1 (0.69) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL2112590 0.78 ESR1 (0.68) ESR1ESR2CES2NR3C2MAPT
SCHEMBL2111847 0.78 ESR1 (0.57) ESR1ESR2CES2
SCHEMBL865179 0.78 ESR1 (0.73) ESR1ESR2CES2NR3C2MAPT
SCHEMBL2111209 0.78 ESR1 (0.73) ESR1ESR2CES2NR3C2MAPT
SCHEMBL2114814 0.77 ESR1 (0.66) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL2113020 0.77 ESR1 (0.64) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL2113010 0.75 ESR1 (0.64) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL2113552 0.75 ESR1 (0.61) ESR1ESR2CES2NR3C2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2455362-A1 Nuclear receptor binding agents GTX, Inc. (US) 2012-05-23 EP 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
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 (2 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-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885ABCG2 911/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885ABCG2 911/4885

“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.