SCHEMBL6018314

SCHEMBL6018314

CCC(C)COCC(C)CCO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
TRPA1 O75762 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2451886 0.90 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRTRPA1
Ethylene Glycol SCHEMBL1885267 0.87 MAPT (0.34) ALDH1A1TSHRMAPTHSD17B10
SCHEMBL23165889 0.83
SCHEMBL1638639 0.82 MAPT (0.34) TSHRMAPTHSD17B10
SCHEMBL10707670 0.82 MAPT (0.34) TSHRMAPTHSD17B10
SCHEMBL10707675 0.82 MAPT (0.34) TSHRMAPTHSD17B10
SCHEMBL596042 0.82 MAPT (0.34) TSHRMAPTHSD17B10
Di(Hydroxyethyl)Ether SCHEMBL1887097 0.81 TSHR (0.48) ALDH1A1TSHRMAPTHSD17B10
SCHEMBL2843100 0.80 TSHR (0.42) TSHRHSD17B10
SCHEMBL24202437 0.80 LMNA (0.38)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135491-B2 5-Aryltetrazole compounds and uses thereof INOTEK PHARMACEUTICALS CORP. (US) 2006-11-14 US disclosed
US-7087631-B2 Aryltetrazole compounds, and compositions thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-08-08 US disclosed
US-20060135519-A2 5-ARYLTETRAZOLE COMPOUNDS AND COMPOSITIONS THEREOF NIVOROZHKIN ALEXANDER 2006-06-22 US disclosed
US-20050159418-A1 5-Aryltetrazoles compounds and compositions thereof NIVOROZHKIN ALEX (US) 2005-07-21 US disclosed
US-20050159467-A1 5-Aryltetrazole compounds and uses thereof NIVOROZHKIN ALEX (US) 2005-07-21 US disclosed
EP-1542980-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR Inotek Pharmaceuticals Corporation (US) 2005-06-22 EP disclosed
US-20040116423-A1 5-Aryltetrazole compounds, compositions thereof, and uses therefor INOTEK PHARMACEUTICALS CORPORATION 2004-06-17 US disclosed
WO-2004009563-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR INOTEK PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO disclosed
EP-0441932-A1 FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM. MERCK PATENT GMBH (DE) 1991-08-21 EP disclosed
EP-0431402-A2 Di- and trifluormethoxy compounds and their use as components of a liquid crystal medium MERCK PATENT GmbH (DE) 1991-06-12 EP disclosed
WO-1991003450-A1 FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-21 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-20060135519-A2 5-ARYLTETRAZOLE COMPOUNDS AND COMPOSITIONS THEREOF CASP5, NOX5, IL5 ALDH1A1 271/4885ALOX15 33/4885TSHR 2774/4885
US-20050159467-A1 5-Aryltetrazole compounds and uses thereof NLRP3, XDH, CASP5 ALDH1A1 234/4885ALOX15 71/4885TSHR 2226/4885
US-20050159418-A1 5-Aryltetrazoles compounds and compositions thereof NLRP3, CASP5, CASP3 ALDH1A1 281/4885ALOX15 37/4885TSHR 2648/4885

“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.