SCHEMBL17904530

SCHEMBL17904530

CCC(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.57
▸ LPL P06858 8/20 0.37
▸ LIPG Q9Y5X9 8/20 0.37
▸ DGAT1 O75907 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ F11 P03951 1/20 0.31

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
SCHEMBL13412137 0.87 FFAR1 (0.59) FFAR1LPLLIPGDGAT1AAK1
SCHEMBL14746347 0.87 FFAR1 (0.56) FFAR1LPLLIPGDGAT1AAK1
SCHEMBL30124853 0.84 FFAR1 (0.53) FFAR1LPLLIPGDGAT1AAK1
SCHEMBL2588010 0.84 FFAR1 (0.59) FFAR1LPLLIPGDGAT1AAK1
SCHEMBL24686402 0.84 FFAR1 (0.52) FFAR1LPLLIPGDGAT1AAK1
SCHEMBL23022205 0.83 FFAR1 (0.52) FFAR1LPLLIPGDGAT1AAK1
SCHEMBL34468062 0.83 FFAR1 (0.57) FFAR1LPLLIPGDGAT1AAK1
SCHEMBL19861553 0.81 FFAR1 (0.56) FFAR1LPLLIPGDGAT1AAK1
SCHEMBL29584057 0.80 FFAR1 (0.52) FFAR1LPLLIPGDGAT1F11
SCHEMBL19524038 0.80 FFAR1 (0.61) FFAR1LPLLIPGDGAT1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 — — US disclosed
WO-2021188695-A1 FORMULATIONS OF A FARNESOID X RECEPTOR AGONIST METACRINE, INC. (US) 2021-09-23 — — WO disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 — — 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-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI FFAR1 4389/4885LPL 4484/4885LIPG 4258/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI FFAR1 4389/4885LPL 4484/4885LIPG 4258/4885

“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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