SCHEMBL5860140

SCHEMBL5860140

CCCOc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.56
RXRA P19793 2/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
CYP3A4 P08684 4/20 0.44
CYP26A1 O43174 4/20 0.44
CYP26B1 Q9NR63 3/20 0.44
PDK2 Q15119 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 2/20 0.42
LTA4H P09960 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL5861367 0.85 PPARG (0.51) PPARGRXRARXRBRXRGCYP3A4
SCHEMBL17050190 0.85 PPARG (0.43) PPARGPDK2MAOAMAOBTSHR
SCHEMBL17050193 0.80 PPARG (0.42) PPARGPDK2MAOAMAOBTSHR
SCHEMBL5960357 0.79 PPARG (0.49) PPARGRXRARXRBRXRGCYP3A4
SCHEMBL5403530 0.78 PPARG (0.59) PPARGRXRARXRBRXRGCYP3A4
SCHEMBL10643305 0.77 RARG (0.64) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL10643296 0.77 RARG (0.64) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL16993773 0.77 RXRA (0.69) PPARGRXRARXRBRXRGCYP3A4
SCHEMBL23446783 0.76 PPARG (0.47) PPARGRXRARXRBRXRGCYP3A4
SCHEMBL29462816 0.75 RXRA (0.53) PPARGRXRARXRBRXRGCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019034-B2 Compositions and methods for reducing serum glucose and triglyceride levels in diabetic mammals ALLERGAN, INC. (US) 2006-03-28 US disclosed
US-20040147611-A1 Compositions and methods for reducing serum glucose and triglyceride levels in diabetic mammals ALLERGAN, INC. 2004-07-29 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-20040147611-A1 Compositions and methods for reducing serum glucose and triglyceride levels in diabetic mammals RXRA, RXRB, RXRG PPARG 24/4885RXRA 1/4885RXRB 2/4885

“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.