SCHEMBL12101686

SCHEMBL12101686

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
ALKBH3 Q96Q83 1/20 0.30
SLC5A2 P31639 1/20 0.30
PGR P06401 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL12101730 0.91 ACACB (0.33) HSD17B1PGRPDK2
SCHEMBL12129094 0.84 EDNRB (0.32) MEN1KMT2A
SCHEMBL12129097 0.83 ACACB (0.34) PGR
SCHEMBL12101728 0.75 ACACB (0.34) HSD17B1
SCHEMBL12101852 0.72 HSD17B1 (0.37) HSD17B1MEN1POLBKMT2AALKBH3
SCHEMBL12129101 0.70 ACACB (0.34)
SCHEMBL15800871 0.69 ACACB (0.32) PGR
SCHEMBL12101729 0.68 CYP26A1 (0.35) HSD17B1MEN1KMT2A
SCHEMBL18971151 0.68 HSD17B1 (0.37) HSD17B1MEN1POLBKMT2AALKBH3
SCHEMBL12115982 0.68 HSD17B1 (0.37) HSD17B1MEN1POLBKMT2AALKBH3

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 HSD17B1 123/4885MEN1 4406/4885POLB 4653/4885

“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.