SCHEMBL13041981

SCHEMBL13041981

CCc1cc(-c2ccc(F)cc2)ccc1C1=C(O)C(C)OC(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.34
HSD17B1 P14061 3/20 0.33
NR3C1 P04150 2/20 0.31
NR3C2 P08235 2/20 0.31
GRM2 Q14416 2/20 0.31
HTR2A P28223 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
KCNH2 Q12809 1/20 0.30
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 0.30
MAPT P10636 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
SCHEMBL12101733 0.89 PGR (0.36) PGRHSD17B1GRM2
SCHEMBL12101801 0.88 PGR (0.35) PGRNR3C1NR3C2GRM2HTR2A
SCHEMBL12101863 0.83 PGR (0.33) PGRHSD17B1NR3C1NR3C2
SCHEMBL13041984 0.81 LMNA (0.35)
SCHEMBL12101879 0.80 PGR (0.30) PGR
SCHEMBL12101743 0.80 HSD17B1 (0.36) PGRHSD17B1MAPT
SCHEMBL13042174 0.77 HSD17B1 (0.34) PGRHSD17B1MAPT
SCHEMBL3653030 0.76 PGR (0.33) PGRHSD17B1NR3C1NR3C2MAPT
SCHEMBL12101713 0.74 HSD17B1 (0.36) PGRHSD17B1MAPT
SCHEMBL12101798 0.74 PGR (0.34) PGRHSD17B1HRH3

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 PGR 1062/4885HSD17B1 123/4885NR3C1 441/4885

“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.