SCHEMBL10244074

SCHEMBL10244074

CCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1/C1=C(\O)C[C@H]2CC[C@H](CC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
SLC6A3 Q01959 6/20 0.36
SLC6A4 P31645 3/20 0.36
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
HSD17B1 P14061 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
AHR P35869 1/20 0.33
ALKBH3 Q96Q83 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAP3K14 Q99558 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
SCHEMBL468935 0.89 ACACB (0.36) HSD17B1ACACBACACA
SCHEMBL471015 0.88 CHEK1 (0.36) SLC6A3SLC6A4HSD17B1ACACBACACA
SCHEMBL471738 0.87 COMT (0.37) PDE3BPDE3AACACBACACA
SCHEMBL471731 0.86 CYP11B1 (0.31) HSD17B1ACACBACACACYP11B1CYP11B2
SCHEMBL10244015 0.86 CYP11B1 (0.31) HSD17B1ACACBACACACYP11B1CYP11B2
SCHEMBL10245513 0.85 EDNRB (0.38) SLC6A3HSD17B1
SCHEMBL468909 0.85 ACACB (0.31) HSD17B1ACACBACACACYP11B1CYP11B2
SCHEMBL10246765 0.85 HSD17B1 (0.34) SLC6A3SLC6A4HSD17B1
SCHEMBL10244930 0.83 ACACB (0.31) ACACBACACA
SCHEMBL10244288 0.83

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 1 patent. 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

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 PGR 4626/4885SLC6A3 862/4885SLC6A4 1443/4885

“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.