SCHEMBL10245073

SCHEMBL10245073

CCc1ccc(-c2ccc(Cl)s2)cc1/C1=C(\O)C[C@H]2CC[C@H](CC2)[C@H](C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
HDAC2 Q92769 4/20 0.31
HDAC1 Q13547 3/20 0.31
HSD17B1 P14061 2/20 0.31
HDAC3 O15379 2/20 0.31
HSD17B2 P37059 1/20 0.31
PGR P06401 2/20 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
SCHEMBL10244005 0.85 ACACB (0.34)
SCHEMBL468817 0.82 ACACB (0.37)
SCHEMBL468863 0.81 PDK1 (0.33)
SCHEMBL466150 0.80 HPD (0.31)
SCHEMBL432705 0.79 HDAC2 (0.35) CNR2HDAC2HDAC1HSD17B1HDAC3
SCHEMBL430200 0.77 HDAC2 (0.34) CNR2HDAC2HDAC1HSD17B1HDAC3
SCHEMBL12116062 0.75 CNR2 (0.34) CNR2HDAC2HDAC1HSD17B1HDAC3
SCHEMBL18971813 0.75 CNR2 (0.34) CNR2HDAC2HDAC1HSD17B1HDAC3
SCHEMBL11940731 0.73 HSD17B1 (0.36) CNR2HDAC2HDAC1HSD17B1HDAC3
SCHEMBL464707 0.73 ALDH1A1 (0.32)

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 CNR2 1209/4885HDAC2 2125/4885HDAC1 1406/4885

“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.