SCHEMBL2706286

SCHEMBL2706286

O=C(OCc1ccccc1)c1ccc(Oc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
SMPD1 P17405 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HPGD P15428 2/20 0.49
TTR P02766 1/20 0.49
HIF1A Q16665 1/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47

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
SCHEMBL3960907 0.90 KMT2A (0.62) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL30141105 0.90 KMT2A (0.62) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL2705973 0.87 TTR (0.64) KMT2ARAB9ANPC1SMN1; SMN2SMPD1
SCHEMBL873776 0.85 SMPD1 (0.70) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL12114405 0.84 KMT2A (0.54) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL2087641 0.82 NPC1 (0.71) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL1647432 0.82 TDP1 (0.58) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL22015271 0.82 LMNA (0.62) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL3960881 0.82 LMNA (0.62) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL23226754 0.81 FFAR4 (0.59) KMT2ASLC6A2SLC6A3TDP1LMNA

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-2435037-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme 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-2010138338-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME 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 KMT2A 4072/4885SLC6A2 3833/4885SLC6A3 4561/4885

“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.