SCHEMBL3054083

SCHEMBL3054083

O=C(Cl)COc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.64
NR4A1 P22736 1/20 0.64
NR4A2 P43354 1/20 0.64
NR4A3 Q92570 1/20 0.64
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
CYP2C19 P33261 1/20 0.61
PTGS2 P35354 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MAOB P27338 2/20 0.60
PARP10 Q53GL7 1/20 0.60
SRD5A2 P31213 1/20 0.58
FFAR1 O14842 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL1115002 0.85 PPARG (0.71) PLA2G4BNR4A1NR4A2NR4A3LMNA
Benzylphenylether SCHEMBL27549280 0.85 NR4A2 (0.67) PLA2G4BNR4A1NR4A2NR4A3LMNA
SCHEMBL6013 0.85 ALOX15 (0.68) LMNAFFAR1MAPTMEN1KMT2A
SCHEMBL7664334 0.84 ADAMTS5 (0.52) PLA2G4BNR4A1NR4A2NR4A3CYP1A2
SCHEMBL224149 0.84 ALOX5 (0.65) NR4A1NR4A2NR4A3LMNACYP1A2
Fluoride SCHEMBL27943650 0.83 ALOX15 (0.65) LMNAFFAR1MAPTMEN1KMT2A
SCHEMBL2117441 0.82 ALOX15 (0.50) FFAR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL228290 0.82 NR4A2 (0.74) PLA2G4BNR4A1NR4A2NR4A3LMNA
SCHEMBL4432728 0.82 PARP10 (0.70) PLA2G4BNR4A1NR4A2NR4A3LMNA
SCHEMBL20425306 0.82 MAOB (0.70) PLA2G4BNR4A1NR4A2NR4A3LMNA

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
US-7744910-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2010-06-29 US disclosed
US-7186414-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC (US) 2007-03-06 US disclosed
US-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-01-11 US disclosed
EP-1676832-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2006-07-05 EP disclosed
US-6991798-B1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-01-31 US disclosed
US-20050272638-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-08 US disclosed
EP-1102742-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2001-05-30 EP disclosed
WO-2000007979-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2000-02-17 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 (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-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SERPINB1, ELANE, MMP8 PLA2G4B 635/4885NR4A1 3390/4885NR4A2 3277/4885
US-20050272638-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 PLA2G4B 635/4885NR4A1 3390/4885NR4A2 3277/4885

“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.