SCHEMBL4460348

SCHEMBL4460348

COC(=O)C1(C)Cc2cc(OC)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MTNR1A P48039 3/20 0.44
PPIB P23284 1/20 0.43
HTT P42858 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
PPARA Q07869 2/20 0.42
KDM4E B2RXH2 3/20 0.41
KLK7 P49862 1/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 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
SCHEMBL4458326 0.84 MAPT (0.43) PPARAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL19469647 0.82 PPARA (0.40) PPARAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL13886813 0.81 PPARA (0.45) SMN1; SMN2MTNR1APPIBGABRA1GABRB2
SCHEMBL3519499 0.80 POLB (0.50) SMN1; SMN2HTTKDM4EPOLBL3MBTL1
SCHEMBL13903650 0.75 HIF1A (0.39) HTTKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL19030199 0.75 AKR1B1 (0.40) PPARAKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL23618113 0.73 POLB (0.35) SMN1; SMN2HTTKDM4EPOLBL3MBTL1
SCHEMBL19469539 0.70 GAA (0.39) SMN1; SMN2PPARAALDH1A1GAACA12
SCHEMBL17320989 0.70 MGAM (0.39) SMN1; SMN2PPARAKDM4EPOLBALDH1A1
SCHEMBL2925890 0.70 PPIB (0.41) SMN1; SMN2MTNR1APPIBGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 EP disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 WO 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-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG SMN1; SMN2 4667/4885MTNR1A 660/4885PPIB 2754/4885

“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.