SCHEMBL2194267

SCHEMBL2194267

Nc1cc(Cl)ccc1OCCCCCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.52
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
PRSS1 P07477 3/20 0.47
HPGD P15428 4/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NLRP1 Q9C000 1/20 0.45
FABP4 P15090 1/20 0.45
LTB4R Q15722 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL28757398 1.00 RAB9A (0.54) RAB9APTGDR2MAPTTDP1PRSS1
SCHEMBL27634073 1.00 RAB9A (0.54) RAB9APTGDR2MAPTTDP1PRSS1
Hydrochloric Acid SCHEMBL5490127 0.99 RAB9A (0.53) RAB9APTGDR2MAPTTDP1PRSS1
SCHEMBL13545503 0.98 RAB9A (0.56) RAB9APTGDR2MAPTTDP1PRSS1
SCHEMBL13282757 0.89 PTGDR2 (0.57) RAB9APTGDR2MAPTTDP1HPGD
SCHEMBL10382178 0.86 RAB9A (0.70) RAB9APTGDR2MAPTTDP1HPGD
SCHEMBL10381113 0.86 RAB9A (0.70) RAB9APTGDR2MAPTTDP1HPGD
SCHEMBL15887757 0.85 MAPT (0.49) RAB9AMAPTPRSS1HPGDTSHR
SCHEMBL1470608 0.85 KDM4E (0.53) RAB9APTGDR2MAPTPRSS1HPGD
SCHEMBL1469995 0.85 KDM4E (0.53) RAB9APTGDR2MAPTPRSS1HPGD

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-1246792-B1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2014-08-13 EP disclosed
US-7977506-B2 Amino acid for delivering active materials; bioavailability EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-12 US disclosed
US-20070087958-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-04-19 US disclosed
US-7151191-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-12-19 US disclosed
EP-1246792-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2005-02-16 EP disclosed
US-20030149296-A1 Compounds and compositions for delivering active agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2003-08-07 US disclosed
EP-1246792-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2002-10-09 EP disclosed
WO-2001051454-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2001-07-19 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-20070087958-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SERPINB1, ELANE, MMP8 RAB9A 2126/4885PTGDR2 1135/4885MAPT 1871/4885
US-20030149296-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 RAB9A 2126/4885PTGDR2 1135/4885MAPT 1871/4885

“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.