SCHEMBL13042259

SCHEMBL13042259

CCc1cc(-c2ccc(Cl)cc2)ccc1C1=C(OC(C)=O)[C@@H]2CC[C@@](C)(O2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.34
▸ ACACB O00763 5/20 0.33
▸ ACACA Q13085 5/20 0.33
▸ CACNB4 O00305 1/20 0.31
▸ CACNA1A O00555 1/20 0.31
▸ CACNA1G O43497 1/20 0.31
▸ CACNG3 O60359 1/20 0.31
▸ CACNA1F O60840 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ CACNB3 P54284 1/20 0.31
▸ CACNA2D1 P54289 1/20 0.31
▸ CACNG7 P62955 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ CACNA1D Q01668 1/20 0.31
▸ CACNB1 Q02641 1/20 0.31
▸ CACNG1 Q06432 1/20 0.31
▸ CACNB2 Q08289 1/20 0.31
▸ CACNA1S Q13698 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ CACNA1E Q15878 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
SCHEMBL12101724 0.83 DGAT1 (0.34) DGAT1ACACBACACAC5AR1TDP2
SCHEMBL12101676 0.78 ACACB (0.38) DGAT1ACACBACACATDP2HDAC1
SCHEMBL12116226 0.76 SLC6A3 (0.37) DGAT1ACACBACACASLC6A3TDP2
SCHEMBL18971261 0.76 SLC6A3 (0.37) DGAT1ACACBACACASLC6A3TDP2
SCHEMBL13042077 0.73 ACACB (0.34) ACACBACACA
SCHEMBL12101727 0.72 PGR (0.35) ACACBACACA
SCHEMBL12101863 0.71 PGR (0.33) —
SCHEMBL12128948 0.71 ACACB (0.39) DGAT1ACACBACACATDP2HDAC1
SCHEMBL12101829 0.71 PTGS2 (0.36) ACACBACACA
SCHEMBL12101732 0.70 ACACB (0.35) ACACBACACACACNB4CACNA1ACACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 — — US disclosed
US-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 — — US disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
WO-2009074314-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA LIMITED (GB) 2009-06-18 — — WO 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-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES DDT, HPD, THOP1 DGAT1 1613/4885ACACB 2172/4885ACACA 2068/4885

“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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