SCHEMBL10246765

SCHEMBL10246765

CCc1ccc(-c2ccc(F)cc2)cc1/C1=C(\O)C[C@H]2CC[C@H](CC2)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.34
PTGS2 P35354 1/20 0.34
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
KCNH2 Q12809 1/20 0.31
ERCC1 P07992 1/20 0.30
ERCC4 Q92889 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL468935 0.88 ACACB (0.36) HSD17B1
SCHEMBL10244074 0.85 PGR (0.36) HSD17B1SLC6A4SLC6A3
SCHEMBL10244930 0.84 ACACB (0.31)
SCHEMBL10244015 0.82 CYP11B1 (0.31) HSD17B1
SCHEMBL471731 0.82 CYP11B1 (0.31) HSD17B1
SCHEMBL468920 0.82 HPD (0.33) HSD17B1
SCHEMBL471738 0.82 COMT (0.37)
SCHEMBL10244288 0.82
SCHEMBL468909 0.82 ACACB (0.31) HSD17B1
SCHEMBL12119160 0.81 HSD17B1 (0.43) HSD17B1PTGS2HRH3ERCC1ERCC4

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 HSD17B1 281/4885PTGS2 3414/4885HTR2A 1320/4885

“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.