SCHEMBL13070034

SCHEMBL13070034

COC(=O)C(Oc1cccc(O)c1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
THRB P10828 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NLRP3 Q96P20 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ADAMTS4 O75173 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL14122416 0.84 LMNA (0.49) CYP3A4THRBHSD17B1HSD17B2ALDH1A1
SCHEMBL30300697 0.84 LMNA (0.49) CYP3A4THRBHSD17B1HSD17B2ALDH1A1
SCHEMBL30300653 0.84 LMNA (0.49) CYP3A4THRBHSD17B1HSD17B2ALDH1A1
SCHEMBL14121763 0.84 LMNA (0.49) CYP3A4THRBHSD17B1HSD17B2ALDH1A1
SCHEMBL14121767 0.84 LMNA (0.49) CYP3A4THRBHSD17B1HSD17B2ALDH1A1
SCHEMBL8749241 0.83 CYP3A4 (0.51) CYP3A4ESR1ESR2CHRNB4CHRNA3
SCHEMBL17896176 0.83 KMT2A (0.51) ALDH1A1MTNR1AMTNR1BTSHR
SCHEMBL17896175 0.83 KMT2A (0.51) ALDH1A1MTNR1AMTNR1BTSHR
SCHEMBL14122286 0.79 ALDH1A1 (0.50) THRBALDH1A1MTNR1AMTNR1B
SCHEMBL14122061 0.79 ALDH1A1 (0.50) THRBALDH1A1MTNR1AMTNR1B

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
EP-1796665-B1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK SHARP & DOHME (US) 2010-11-17 EP disclosed
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

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 818/4885ESR1 4422/4885ESR2 2327/4885

“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.