SCHEMBL2705229

SCHEMBL2705229

O=C(O)c1ccc(Oc2ccc(OCc3ccccc3)c(Cl)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.65
HPGD P15428 3/20 0.64
RXRA P19793 3/20 0.64
RXRB P28702 3/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NR4A2 P43354 2/20 0.60
NR4A1 P22736 1/20 0.60
NR4A3 Q92570 1/20 0.60
RXRG P48443 2/20 0.58
TP53 P04637 2/20 0.56
XBP1 P17861 2/20 0.56
MEN1 O00255 1/20 0.56
MITF O75030 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
KMT2A Q03164 1/20 0.56
RELA Q04206 1/20 0.56
SRD5A2 P31213 1/20 0.56

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
SCHEMBL3758648 0.90 HPGD (0.64) MRGPRX4HPGDRXRARXRBNPC1
SCHEMBL243754 0.86 MRGPRX4 (0.73) MRGPRX4HPGDRXRARXRBNPC1
Hydrochloric Acid SCHEMBL9647665 0.85 MRGPRX4 (0.71) MRGPRX4HPGDRXRARXRBNPC1
SCHEMBL13047045 0.82 MRGPRX4 (0.52) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1221359 0.81 NR4A2 (0.90) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL2395569 0.81 NPC1 (0.48) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6342568 0.81 NR4A2 (0.71) MRGPRX4HPGDRXRARXRBNPC1
SCHEMBL1881853 0.81 NR4A2 (0.71) MRGPRX4RXRARXRBSMN1; SMN2NR4A2
SCHEMBL17658995 0.80 ALOX5 (0.58) MRGPRX4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22480880 0.79 MRGPRX4 (1.00) MRGPRX4HPGDRXRARXRBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435462-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS Pfizer Limited (GB) 2012-04-04 EP disclosed
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 WO disclosed
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 WO disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 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 (1 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-20100303758-A1 Novel Glucocorticoid Receptor Agonists NR3C1, NR3C2, MC2R MRGPRX4 8/4885HPGD 688/4885RXRA 538/4885

“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.