SCHEMBL3046406

SCHEMBL3046406

O=C(O)CCCCCCC(=O)Nc1cc(Cl)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.69
ALOX15 P16050 1/20 0.66
MAPK1 P28482 1/20 0.66
GAA P10253 3/20 0.62
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 1/20 0.55
KDM4E B2RXH2 1/20 0.55
KCNMA1 Q12791 4/20 0.54
STAT3 P40763 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL5656576 1.00 POLB (0.69) POLBALOX15MAPK1GAAALDH1A1
SCHEMBL7717051 1.00 POLB (0.69) POLBALOX15MAPK1GAAALDH1A1
SCHEMBL31661769 1.00 POLB (0.69) POLBALOX15MAPK1GAAALDH1A1
SCHEMBL7718043 1.00 POLB (0.69) POLBALOX15MAPK1GAAALDH1A1
SCHEMBL7719057 0.95 POLB (0.71) POLBALOX15MAPK1GAAALDH1A1
SCHEMBL13593325 0.90 POLB (0.55) POLBALOX15MAPK1GAAALDH1A1
SCHEMBL13593333 0.90 POLB (0.55) POLBALOX15MAPK1GAAALDH1A1
SCHEMBL13166882 0.89 POLB (0.76) POLBALOX15MAPK1GAATDP1
SCHEMBL31661644 0.88 POLB (0.56) POLBALOX15MAPK1GAAALDH1A1
SCHEMBL5655283 0.88 POLB (0.56) POLBALOX15MAPK1GAAALDH1A1

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 9 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
US-6384278-B1 REACTING AN AROMATIC AMINE AND AN ALKANOIC ACID OR ESTER IN THE PRESENCE OF A BORON COMPOUND AND OPTIONALLY, A CHELATING AGENT TO PRODUCE AN AROMATIC CARBOXAMIDE SUCH AS 8(5-CHLORO-2 -HYDROXYANILINO)-8-OXOOCTANOIC ACID EMISPHERE TECHNOLOGIES, INC. 2002-05-07 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 POLB 985/4885ALOX15 818/4885MAPK1 4522/4885
US-20050272638-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 POLB 985/4885ALOX15 818/4885MAPK1 4522/4885

“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.