SCHEMBL431335

SCHEMBL431335

CCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
SLC6A3 Q01959 4/20 0.33
PGR P06401 1/20 0.33
MAP3K14 Q99558 4/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
AHR P35869 1/20 0.31
ALKBH3 Q96Q83 1/20 0.31
PRKCZ Q05513 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL13065688 1.00 S1PR1 (0.33) S1PR1S1PR5ACACBACACASLC6A3
SCHEMBL432196 0.95 S1PR1 (0.34) S1PR1S1PR5ACACBACACASLC6A3
SCHEMBL13065039 0.90 ACACB (0.39) ACACBACACACYP11B1CYP11B2
SCHEMBL432210 0.90 ACACB (0.39) ACACBACACACYP11B1CYP11B2
SCHEMBL431036 0.90 ACACB (0.35) ACACBACACAMEN1KMT2A
SCHEMBL13065038 0.88 COMT (0.38) ACACBACACAMEN1KMT2A
SCHEMBL431075 0.88 COMT (0.38) ACACBACACAMEN1KMT2A
SCHEMBL432211 0.86 KLKB1 (0.32)
SCHEMBL432564 0.86 CHRNB2 (0.35)
SCHEMBL432546 0.86 EDNRB (0.39) SLC6A3MEN1KMT2A

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
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US 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 S1PR1 3494/4885S1PR5 4209/4885ACACB 889/4885

“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.