SCHEMBL8080347

SCHEMBL8080347

CCCCCCc1ccccc1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.56
CYSLTR1 Q9Y271 9/20 0.56
LIPG Q9Y5X9 1/20 0.56
ALDH1A1 P00352 1/20 0.56
BID P55957 3/20 0.55
MCL1 Q07820 3/20 0.55
BCL2L1 Q07817 2/20 0.55
BAK1 Q16611 2/20 0.55
KAT8 Q9H7Z6 2/20 0.55
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
EP300 Q09472 1/20 0.55
KAT2A Q92830 1/20 0.55
KAT2B Q92831 1/20 0.55
KAT5 Q92993 1/20 0.55
SAE1 Q9UBE0 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
SCHEMBL10533245 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPGALDH1A1BID
SCHEMBL9559902 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPGALDH1A1BID
SCHEMBL5509741 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPGALDH1A1BID
SCHEMBL8086397 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPGALDH1A1BID
SCHEMBL8086516 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPGALDH1A1BID
SCHEMBL8072594 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPGALDH1A1BID
SCHEMBL7341368 0.98 ALDH1A1 (0.58) CYSLTR2CYSLTR1LIPGALDH1A1BID
Chloroform SCHEMBL17019954 0.95 CYSLTR2 (0.56) CYSLTR2CYSLTR1LIPGALDH1A1BID
SCHEMBL2461497 0.93 ALDH1A1 (0.56) CYSLTR2CYSLTR1ALDH1A1BIDMCL1
Bicarbonate SCHEMBL28742980 0.89 LIPG (0.63) CYSLTR2CYSLTR1LIPGBIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP 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 (1 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-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES CYSLTR2 265/4885CYSLTR1 282/4885LIPG 331/4885

“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.