SCHEMBL11940686

SCHEMBL11940686

CCc1ccc(-c2ccc(Cl)c(F)c2)cc1C1=C(O)C(C)(C)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.44
ACACA Q13085 6/20 0.44
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
PGR P06401 1/20 0.34
HSD17B1 P14061 2/20 0.34
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
FFAR1 O14842 1/20 0.32
POLB P06746 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 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
SCHEMBL11940681 0.90 PGR (0.44) ACACBACACAPTGS1PTGS2PGR
SCHEMBL11940692 0.87 ACACB (0.33) ACACBACACAPTGS1PTGS2PGR
SCHEMBL11940689 0.87 ACACB (0.34) ACACBACACAPTGS1PTGS2PGR
SCHEMBL11940676 0.86 ACACB (0.41) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940690 0.86 ACACB (0.33) ACACBACACAPTGS1PTGS2HSD17B1
SCHEMBL11940691 0.86 ACACB (0.33) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940693 0.86 ACACB (0.33) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940684 0.86 COMT (0.37) ACACBACACAPGR
SCHEMBL10195147 0.86 HTR2A (0.36) ACACBACACAPTGS1PTGS2
SCHEMBL11940682 0.85 CHEK1 (0.39) ACACBACACAPGRHSD17B1

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-8741806-B2 Herbicides SYNGENTA LIMITED (GB) 2014-06-03 US disclosed
US-8741806-B2 Herbicides SYNGENTA LIMITED (GB) 2014-06-03 US disclosed
US-20120190545-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-26 US disclosed
US-20120190545-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-26 US disclosed
WO-2011006543-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2011-01-20 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-20120190545-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 ACACB 1002/4885ACACA 1274/4885PTGS1 2809/4885

“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.