SCHEMBL4383883

SCHEMBL4383883

CC[C@@]1(C(=O)OC)Cc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37

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
SCHEMBL22019345 0.83 NOTUM (0.38) TSHRSMN1; SMN2KMT2ACYP3A4LMNA
SCHEMBL7420613 0.83 PPARA (0.44) CYP2D6TSHRCYP2C19SMN1; SMN2MEN1
SCHEMBL3380544 0.83 PPARA (0.44) CYP2D6TSHRCYP2C19SMN1; SMN2MEN1
SCHEMBL7418599 0.82 CYP2D6 (0.41) CYP2D6TSHRCYP2C19SMN1; SMN2MEN1
SCHEMBL25054502 0.82 PPARA (0.41) KMT2AMAPTPPARGPPARAGAA
SCHEMBL13069922 0.82 PPARA (0.41) KMT2AMAPTPPARGPPARAGAA
SCHEMBL4454137 0.82 PPARA (0.41) KMT2AMAPTPPARGPPARAGAA
SCHEMBL4452781 0.82 PPARG (0.39) KMT2AALDH1A1MAPTKDM4EPPARG
SCHEMBL13886813 0.81 PPARA (0.45) SMN1; SMN2KDM4EPPARGPPARA
SCHEMBL4385772 0.80 PPARA (0.40) TSHRKMT2AALDH1A1MAPTKDM4E

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 5 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-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
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 US disclosed
CN-101027056-A Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO INC (US) 2007-08-29 CN 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 CYP2D6 1410/4885TSHR 3113/4885CYP2C19 976/4885

“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.