SCHEMBL3059308

SCHEMBL3059308

CC(CCCCCCC(=O)Cl)C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.44
LTA4H P09960 1/20 0.41
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 2/20 0.38
ACE2 Q9BYF1 1/20 0.34
FAAH O00519 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER2 P43116 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
BLM P54132 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL494013 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4
SCHEMBL495059 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4
SCHEMBL494900 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4
SCHEMBL495948 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4
SCHEMBL494087 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4
SCHEMBL495251 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4
SCHEMBL495140 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4
SCHEMBL494185 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4
SCHEMBL495750 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4
SCHEMBL670289 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53LTA4HFFAR4

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 14 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-20080089854-A1 Skin care compositions WHEWELL CHRISTOPHER J 2008-04-17 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
EP-1102742-B1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2006-06-14 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-0979225-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2001-08-01 EP 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
EP-0979225-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2000-02-16 EP disclosed
US-5863944-A CARRIER IS SELECTED FROM N-2(AMINO-5-FLUOROBENZOYL)8-AMINO CARPRYLIC ACID, 4-(N-(5-FLUORO-2-AMINOBENZOYL)4-AMINOPHENYL) BUTYRIC ACID, 8-(2-HYDROXY-5-CHLOROANILINOCARBONYL) OCTANOIC ACID AND SALTS EMISPHERE TECHNOLOGIES, INC. (US) 1999-01-26 US disclosed
WO-1998049135-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 1998-11-05 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 (3 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 ALDH1A1 2208/4885TSHR 3946/4885TP53 513/4885
US-20050272638-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 ALDH1A1 2208/4885TSHR 3946/4885TP53 513/4885
US-20080089854-A1 Skin care compositions CUTA, MGLL, LPO ALDH1A1 1475/4885TSHR 4827/4885TP53 2666/4885

“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.