SCHEMBL13588381

SCHEMBL13588381

CC[C@]1(C(=O)OC)COc2ccc(O)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
GAA P10253 4/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4382214 0.85 CYP3A4 (0.41) CYP3A4GAAPOLBATMKMT2A
SCHEMBL13069922 0.80 PPARA (0.41) GAAKMT2AMAPTESR2MGAM
SCHEMBL4454137 0.80 PPARA (0.41) GAAKMT2AMAPTESR2MGAM
SCHEMBL25054502 0.80 PPARA (0.41) GAAKMT2AMAPTESR2MGAM
SCHEMBL4452781 0.80 PPARG (0.39) GAAPOLBKMT2AMAPTKDM4E
SCHEMBL13070037 0.80 CYP3A4 (0.41) CYP3A4GAAPOLBKMT2AMEN1
SCHEMBL13069646 0.80 CYP3A4 (0.41) CYP3A4GAAPOLBKMT2AMEN1
SCHEMBL13588397 0.78 CYP3A4 (0.40) CYP3A4GAAPOLBKMT2AMEN1
SCHEMBL6804338 0.78 PPARG (0.47) ESR1ESR2
SCHEMBL6796006 0.78 PPARG (0.47) ESR1ESR2

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-7629372-B2 Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 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-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders LIPA, APOB, LCAT CYP3A4 818/4885GAA 299/4885POLB 3124/4885

“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.