SCHEMBL12119021

SCHEMBL12119021

CCc1ccc(-c2ccc(Cl)cc2F)cc1C1=C(O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.38
PTGS2 P35354 4/20 0.35
PTGS1 P23219 3/20 0.35
HPD P32754 3/20 0.35
FASN P49327 1/20 0.34
MME P08473 1/20 0.33
CTSA P10619 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
APP P05067 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL11940721 0.93 HPD (0.40) HSD17B1PTGS2PTGS1HPDFASN
SCHEMBL12119099 0.88 HSD17B1 (0.40) HSD17B1PTGS2
SCHEMBL12119100 0.88 HSD17B1 (0.37) HSD17B1PTGS2PTGS1HPDPDE3B
SCHEMBL12119084 0.87 HSD17B1 (0.39) HSD17B1PTGS2PTGS1
SCHEMBL12119225 0.86 PTGS1 (0.37) HSD17B1PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL12118986 0.85 HSD17B1 (0.43) HSD17B1PTGS2PTGS1
SCHEMBL11940708 0.84 ALDH1A1 (0.37) FASNCYP11B2
SCHEMBL12119134 0.84 HSD17B1 (0.38) HSD17B1PTGS2PTGS1PSEN1PSEN2
SCHEMBL11940695 0.84 FASN (0.36) HSD17B1HPDFASNMMEPSEN1
SCHEMBL468920 0.84 HPD (0.33) HSD17B1HPDFASNMMECTSA

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-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-8530388-B2 Cyclopentadione derived herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
US-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2011-11-10 US disclosed
WO-2010081894-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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-20110275515-A1 CYCLOPENTADIONE DERIVED HERBICIDES DDT, CYP1B1, CYP1A1 HSD17B1 61/4885PTGS2 2451/4885PTGS1 2085/4885

“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.