SCHEMBL16790069

SCHEMBL16790069

CCCCOc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.56
LIPG Q9Y5X9 13/20 0.56
CYP2D6 P10635 5/20 0.50
CYP3A4 P08684 3/20 0.50
DGAT1 O75907 1/20 0.48
CYP19A1 P11511 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CYP1A2 P05177 3/20 0.46

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
SCHEMBL14302548 0.95 LPL (0.61) LPLLIPGCYP2D6CYP3A4DGAT1
SCHEMBL18727880 0.92 LPL (0.62) LPLLIPGDGAT1CA1CA2
SCHEMBL25527190 0.91 LPL (0.63) LPLLIPGCA1CA2CA9
SCHEMBL15037360 0.91 LPL (0.63) LPLLIPGCA1CA2CA9
SCHEMBL22770755 0.89 LPL (0.52) LPLLIPGCYP2D6CYP3A4DGAT1
SCHEMBL14167807 0.89 LPL (0.57) LPLLIPGDGAT1CA1CA2
SCHEMBL21558596 0.88 LPL (0.54) LPLLIPGCYP3A4DGAT1CA1
SCHEMBL21311012 0.88 LPL (0.54) LPLLIPGDGAT1CA1CA2
SCHEMBL25405585 0.87 LPL (0.53) LPLLIPGDGAT1CA1CA2
SCHEMBL430495 0.87 LPL (0.53) LPLLIPGDGAT1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 LPL 647/4885LIPG 1953/4885CYP2D6 1760/4885

“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.