SCHEMBL1734944

SCHEMBL1734944

CC12CCC(OCC(=O)O)(CC1)CC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CTH P32929 1/20 0.32
▸ CBS P35520 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ FFAR3 O14843 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL18074854 0.71 TSHR (0.33) PTGDRPTGDR2TSHRCTHCBS
SCHEMBL31213026 0.71 CYP1A2 (0.38) PTGDRPTGDR2TSHRCTHCBS
SCHEMBL31213025 0.70 CYP1A2 (0.41) PTGDRPTGDR2TSHRCTHCBS
SCHEMBL21570221 0.67 HSD17B10 (0.31) TSHRCTHCBSTHPOFFAR3
SCHEMBL25070961 0.65 CYP2C19 (0.38) TSHRFFAR3
SCHEMBL7175558 0.64 CYP2C19 (0.33) PTGDRPTGDR2TSHRCTHCBS
SCHEMBL27009186 0.64 NPSR1 (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL20721979 0.64 TSHR (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL23603986 0.62 ADORA3 (0.35) TSHRFFAR3FFAR4
SCHEMBL21810913 0.62 TSHR (0.33) PTGDRPTGDR2TSHRCTHCBS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 — — EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 — — US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 — — EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 — — US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 — — US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 — — EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 — — 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 (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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 PTGDR 4746/4885PTGDR2 4737/4885TSHR 3198/4885

“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.

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