SCHEMBL1251242

SCHEMBL1251242

COC(=O)CCc1cc(C)c(C=O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 2/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ BRD4 O60885 1/20 0.36

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
SCHEMBL10352775 0.83 ALDH1A1 (0.36) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL10352789 0.83 ALDH1A1 (0.39) ALDH1A1TSHRIDO1CA12CA7
SCHEMBL10352788 0.83 ALDH1A1 (0.39) ALDH1A1TSHRIDO1CA12CA7
SCHEMBL1249137 0.83 NFKB1 (0.34) ALDH1A1MAPTCYP4F2CYP4A11
SCHEMBL24133080 0.82 L3MBTL1 (0.40) ALDH1A1TSHRIDO1CA12CA7
SCHEMBL21275867 0.82 CA12 (0.38) ALDH1A1TSHRIDO1CA12CA7
SCHEMBL5992538 0.81 PTGS1 (0.44) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL13508939 0.79 ALDH1A1 (0.46) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL27846840 0.79 ALDH1A1 (0.43) ALDH1A1TSHRIDO1MAPTLMNA
SCHEMBL9861207 0.77 KMT2A (0.49) ALDH1A1TSHRMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205595-B1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2014-09-10 — — EP disclosed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US disclosed
US-8217065-B2 Organic compounds NOVARTIS AG (SE) 2012-07-10 — — US disclosed
US-20110077277-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-03-31 — — US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — US disclosed
US-7879850-B2 such as 6-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-2-(2,6-dichloro-phenyl)-1H-benzoimidazole, having diacylglycerol O-acyl transferase inhibitory activity, used for the treatment of impaired glucose tolerance, non-insulin dependent diabetes or obesity NOVARTIS AG (CH) 2011-02-01 — — US disclosed
EP-2205595-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS Novartis Ag (CH) 2010-07-14 — — EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 — — WO disclosed
US-20090186891-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-23 — — US disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP disclosed
WO-2009040410-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2009-04-02 — — WO disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO disclosed
EP-0177222-B1 CYCLOHEXANE-1,3-DIONE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PROCESSES FOR PREPARING THEM, AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1990-06-27 — — EP disclosed
US-4604128-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-08-05 — — US disclosed
EP-0177222-A1 Cyclohexane-1,3-dione derivatives, compositions containing them, processes for preparing them, and their use as herbicides and plant growth regulators ICI AUSTRALIA LIMITED (AU) 1986-04-09 — — EP 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 (3 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-20110077277-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 ALDH1A1 240/4885TSHR 3967/4885IDO1 4449/4885
US-20090186891-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 ALDH1A1 240/4885TSHR 3967/4885IDO1 4449/4885
US-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 ALDH1A1 44/4885TSHR 3686/4885IDO1 4468/4885

“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.

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