SCHEMBL13323600

SCHEMBL13323600

CC(C)OCCCC(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
PPARA Q07869 13/20 0.47
ACLY P53396 1/20 0.46
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C8 P10632 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
ADRA1A P35348 1/20 0.44
PPARG P37231 1/20 0.44
HTR2B P41595 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CISD1 Q9NZ45 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL13323614 0.88 ACACB (0.42) ACACBACACAPPARAACLYTTR
SCHEMBL27331371 0.82 ALDH1A1 (0.41) PPARATSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL13323596 0.81 ALDH1A1 (0.41) PPARATSHRSMN1; SMN2ALDH1A1
SCHEMBL5528996 0.79 ACLY (0.52) ACACBACACAPPARAACLYTTR
SCHEMBL6255729 0.77 PPARA (0.50) ACACBACACAPPARAACLYTTR
SCHEMBL6202308 0.77 PPARA (0.50) ACACBACACAPPARAACLYTTR
SCHEMBL6255723 0.77 PPARA (0.50) ACACBACACAPPARAACLYTTR
SCHEMBL13323696 0.75 TET2 (0.38) ACACBACACACHRM1TSHRADRA1A
SCHEMBL13323599 0.75 TET2 (0.38) ACACBACACACHRM1TSHRADRA1A
SCHEMBL5520099 0.75 PPARA (0.49) ACACBACACAPPARAACLYTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US 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-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 ACACB 1331/4885ACACA 486/4885PPARA 605/4885

“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.