SCHEMBL2705973

SCHEMBL2705973

O=C(O)c1ccc(Oc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.64
NR4A2 P43354 2/20 0.61
NR4A1 P22736 1/20 0.58
NR4A3 Q92570 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SRD5A2 P31213 2/20 0.55
SMPD1 P17405 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
POLB P06746 1/20 0.53
CASP6 P55212 1/20 0.53
PTGER1 P34995 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52

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
SCHEMBL1600077 0.89 MRGPRX4 (0.62) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL29556736 0.89 MRGPRX4 (0.62) NR4A2NR4A1NR4A3MEN1KMT2A
Hydrochloric Acid SCHEMBL10857748 0.88 MRGPRX4 (0.61) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL2706286 0.87 KMT2A (0.54) TTRNR4A2NR4A1NR4A3MEN1
SCHEMBL11462504 0.84 TTR (0.81) TTRSRD5A2POLBCASP6TSHR
SCHEMBL29375753 0.84 SMPD1 (0.75) TTRMEN1KMT2ASMPD1HDAC1
SCHEMBL1029034 0.84 SMPD1 (0.75) TTRMEN1KMT2ASMPD1HDAC1
Hydrochloric Acid SCHEMBL6586504 0.82 SMPD1 (0.73) TTRMEN1KMT2ASMPD1HDAC1
SCHEMBL11271923 0.82 SMPD1 (0.73) TTRMEN1KMT2ASMPD1HDAC1
SCHEMBL4280782 0.82 MRGPRX4 (0.74) MEN1KMT2ASMPD1HDAC1HDAC8

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
EP-2434890-A1 IAP INHIBITORS Tetralogic Pharmaceuticals Corp. (US) 2012-04-04 EP disclosed
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
WO-2010138666-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 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 TTR 3753/4885NR4A2 129/4885NR4A1 114/4885

“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.