SCHEMBL6024112

SCHEMBL6024112

CCCCCCCCCC(C)(C)C=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GGPS1 O95749 6/20 0.41
EPHX1 P07099 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
FDPS P14324 9/20 0.40
THRB P10828 1/20 0.40
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
CES2 O00748 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL29291472 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL574091 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL29291478 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL28620996 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL811537 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL2046476 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL2573738 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL12361093 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL5498660 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL1068830 1.00 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416118-A Enzyme inhibitors SCHERING CORPORATION (US) 1995-05-16 US claimed
EP-0583346-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1994-02-23 EP claimed
EP-0514851-A1 N-acyl-tetrahydroisoquinolines as inhibitors of acyl-coenzyme a:cholesterol acyl transferase SCHERING CORPORATION (US) 1992-11-25 EP claimed
WO-1992018462-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1992-10-29 WO claimed
EP-0508425-A1 Bicyclic amides as inhibitors of acyl-coenzyme a: cholesterol acyl transferase SCHERING CORPORATION (US) 1992-10-14 EP claimed
US-5124337-A Treating atherosclerosis SCHERING CORPORATION (US) 1992-06-23 US claimed
CN-109790284-B Polyphenol compound and process for producing the same 三菱化学株式会社 2021-09-21 CN disclosed
CN-109790284-A Polyphenol compound and process for producing the same 三菱化学株式会社 2019-05-21 CN disclosed
EP-1286651-B1 USE OF AMINOBENZOIC ACIDS IN COMPOSITIONS WITH PERFUMES QUEST INT SERV BV (NL) 2006-08-02 EP disclosed
US-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom THE PROCTER & GAMBLE COMPANY 2004-04-08 US disclosed
EP-1286651-A1 IMPROVEMENTS IN OR RELATING TO PERFUMES QUEST INTERNATIONAL NEDERLAND BV (NL) 2003-03-05 EP disclosed
EP-1171556-A1 FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM THE PROCTER & GAMBLE COMPANY (US) 2002-01-16 EP disclosed
WO-2001093823-A1 IMPROVEMENTS IN OR RELATING TO PERFUMES QUEST INTERNATIONAL B.V. (NL) 2001-12-13 WO disclosed
US-5789400-A CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1998-08-04 US disclosed
US-5726168-A Lipophilic benzothiophenes ELI LILLY AND COMPANY (US) 1998-03-10 US disclosed
WO-1997013764-A1 LIPOPHILIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1997-04-17 WO disclosed
US-5416118-A Enzyme inhibitors SCHERING CORPORATION (US) 1995-05-16 US disclosed
EP-0583346-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1994-02-23 EP disclosed
WO-1992018462-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1992-10-29 WO disclosed
EP-0508425-A1 Bicyclic amides as inhibitors of acyl-coenzyme a: cholesterol acyl transferase SCHERING CORPORATION (US) 1992-10-14 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-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom CUTA, TRPA1, HRH1 TSHR 4138/4885GGPS1 2132/4885EPHX1 2592/4885

“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.