SCHEMBL431058

SCHEMBL431058

CCc1ccc(-c2ccc(Cl)c(F)c2)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.40
ACACA Q13085 6/20 0.40
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
FFAR1 O14842 1/20 0.32
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
CHRM3 P20309 1/20 0.31
FFAR2 O15552 1/20 0.30
SCN9A Q15858 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
SCHEMBL13065039 0.96 ACACB (0.39) ACACBACACACYP11B1CYP11B2ESR1
SCHEMBL432210 0.96 ACACB (0.39) ACACBACACACYP11B1CYP11B2ESR1
SCHEMBL432196 0.90 S1PR1 (0.34) ACACBACACACYP11B1CYP11B2FFAR2
SCHEMBL431093 0.87 KLKB1 (0.34) ACACBACACACYP11B1CYP11B2SCN9A
SCHEMBL432538 0.87 ACACB (0.31) ACACBACACA
SCHEMBL430208 0.86 EDNRB (0.34) ESR1ESR2PTGS2
SCHEMBL431046 0.86 EDNRB (0.38) ACACBACACA
SCHEMBL10196148 0.86 HTR2A (0.36) ACACBACACA
SCHEMBL6727521 0.86 ACACB (0.40) ACACBACACACYP11B1CYP11B2ESR1
SCHEMBL18873992 0.86 ACACB (0.40) ACACBACACACYP11B1CYP11B2ESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ACACB 889/4885ACACA 1264/4885CYP11B1 745/4885

“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.