SCHEMBL6310055

SCHEMBL6310055

COC(=O)C(C)(C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.45
▸ HIF1A Q16665 3/20 0.40
▸ LIPG Q9Y5X9 5/20 0.39
▸ LPL P06858 4/20 0.39
▸ LIPE Q05469 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ AAK1 Q2M2I8 2/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ P4HB P07237 1/20 0.34

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
SCHEMBL28810468 0.87 PPARA (0.45) HIF1ALIPGLPLPPARGPPARA
SCHEMBL23582562 0.86 PPARA (0.52) DGAT1HIF1ALIPGLPLPPARG
SCHEMBL4045906 0.80 ELANE (0.41) DGAT1HIF1ALIPGLPLCA1
SCHEMBL29539809 0.79 DGAT1 (0.46) DGAT1HIF1ALIPGLPLAAK1
SCHEMBL1407567 0.79 DGAT1 (0.46) DGAT1HIF1ALIPGLPLAAK1
SCHEMBL28469721 0.77 AAK1 (0.40) DGAT1HIF1ALIPGLPLAAK1
SCHEMBL21939759 0.77 DGAT1 (0.45) DGAT1HIF1ALIPGLPLAAK1
SCHEMBL29777947 0.76 LPL (0.44) LIPGLPLLIPECA1CA2
SCHEMBL5892571 0.76 LPL (0.44) LIPGLPLLIPECA1CA2
SCHEMBL19384284 0.76 LIPG (0.43) DGAT1HIF1ALIPGLPLAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234066-A1 Alpha substituted carboxylic acids AGOURON PHARMACEUTICALS, INC. 2005-10-20 — — US disclosed
US-20050187266-A1 Alpha substituted carboxylic acids PFIZER INC 2005-08-25 — — 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 (2 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-20050234066-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD DGAT1 321/4885HIF1A 593/4885LIPG 740/4885
US-20050187266-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD DGAT1 321/4885HIF1A 593/4885LIPG 740/4885

“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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