SCHEMBL12101728

SCHEMBL12101728

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.34
ACACA Q13085 4/20 0.34
HSD17B1 P14061 1/20 0.34
DGAT1 O75907 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL12129043 0.93 ACACB (0.36) ACACBACACACNR1CNR2
SCHEMBL12101676 0.91 ACACB (0.38) ACACBACACAHSD17B1DGAT1
SCHEMBL12101729 0.91 CYP26A1 (0.35) ACACBACACAHSD17B1DGAT1
SCHEMBL12101690 0.90 HSD17B1 (0.33) ACACBACACAHSD17B1CNR1CNR2
SCHEMBL12101689 0.90 CNR1 (0.31) ACACBACACACNR1CNR2
SCHEMBL13042077 0.88 ACACB (0.34) ACACBACACAHSD17B1
SCHEMBL12101726 0.88 ACACB (0.36) ACACBACACAHSD17B1CNR2
SCHEMBL12101818 0.87 PGR (0.38) ACACBACACAHSD17B1
SCHEMBL12101719 0.85 ABL1 (0.37) ACACBACACACNR1CNR2
SCHEMBL12101830 0.85 ACACB (0.41) ACACBACACAHSD17B1

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 6 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
EP-2222657-B1 PYRANDIONES, THIOPYRANDIONES AND CYCLOHEXANTRIONES HAVING HERBICIDAL PROPERTIES SYNGENTA LTD (GB) 2012-09-12 EP 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 ACACB 2172/4885ACACA 2068/4885HSD17B1 123/4885

“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.