SCHEMBL431241

SCHEMBL431241

CCc1ccc(-c2ccc(Cl)cc2F)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 2/20 0.32
CCR2 P41597 2/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
KLKB1 P03952 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC22A2 O15244 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
FASN P49327 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM2 Q14416 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30
CXCR3 P49682 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
SCHEMBL430119 0.96 KLKB1 (0.34) CALML3CCR2CCR1CCR5KLKB1
SCHEMBL432546 0.90 EDNRB (0.39) ALDH1A1MEN1KMT2A
SCHEMBL431331 0.89 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL431036 0.87 ACACB (0.35) ALDH1A1MEN1KMT2A
SCHEMBL431085 0.87 MEN1 (0.30) MEN1KMT2A
SCHEMBL432211 0.86 KLKB1 (0.32) KLKB1
SCHEMBL432210 0.86 ACACB (0.39) CYP11B1CYP11B2
SCHEMBL13065039 0.86 ACACB (0.39) CYP11B1CYP11B2
SCHEMBL432538 0.85 ACACB (0.31) CCR2CCR1CCR5
SCHEMBL431302 0.85 EDNRB (0.42)

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 3 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
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 CALML3 973/4885CCR2 2351/4885CCR1 2796/4885

“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.