SCHEMBL10299681

SCHEMBL10299681

Cc1cc(CC(C)(C)C(=O)O)cc(C)c1-c1nc2ccc(-c3nnc(-c4ccc(Cl)cc4)o3)cc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.81
▸ GUSB P08236 7/20 0.52
▸ SOAT1 P35610 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ CHEK2 O96017 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ KDR P35968 1/20 0.41

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
SCHEMBL30565806 0.90 DGAT1 (1.00) DGAT1GUSBCHEK2KDR
SCHEMBL21354092 0.90 DGAT1 (1.00) DGAT1GUSBCHEK2KDR
SCHEMBL1250459 0.88 DGAT1 (0.76) DGAT1GUSBCHEK2EGFRERBB2
SCHEMBL1250496 0.85 DGAT1 (0.80) DGAT1GUSBSIRT2SIRT1SIRT3
SCHEMBL1250388 0.85 DGAT1 (0.59) DGAT1GUSBCHEK2
SCHEMBL1252006 0.84 DGAT1 (0.78) DGAT1GUSBCHEK2
SCHEMBL1250481 0.84 DGAT1 (0.86) DGAT1GUSBCHEK2
SCHEMBL27819418 0.84 DGAT1 (0.58) DGAT1GUSBCHEK2
SCHEMBL1250476 0.83 DGAT1 (0.69) DGAT1GUSBCHEK2
SCHEMBL1252086 0.82 DGAT1 (0.87) DGAT1GUSBEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217065-B2 Organic compounds NOVARTIS AG (SE) 2012-07-10 — — 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-20110077277-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-03-31 — — 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-20110077277-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 DGAT1 1/4885GUSB 217/4885SOAT1 3/4885

“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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