SCHEMBL430208

SCHEMBL430208

CCc1ccc(-c2ccc(F)cc2)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]2C1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
PTGS2 P35354 1/20 0.34
HDAC2 Q92769 8/20 0.32
HDAC1 Q13547 7/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HDAC3 O15379 4/20 0.32
HSD17B1 P14061 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 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

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
SCHEMBL431046 0.88 EDNRB (0.38) EDNRBEDNRAHDAC2HDAC1HSD17B1
SCHEMBL431058 0.86 ACACB (0.40) PTGS2ESR1ESR2
SCHEMBL10196135 0.85 LTB4R (0.35) KCNH2
SCHEMBL19070696 0.85 LTB4R (0.35) KCNH2
SCHEMBL432196 0.85 S1PR1 (0.34) EDNRBEDNRA
SCHEMBL432538 0.84 ACACB (0.31)
SCHEMBL431036 0.84 ACACB (0.35) EDNRBEDNRAHSD17B1
SCHEMBL431093 0.82 KLKB1 (0.34)
SCHEMBL430119 0.82 KLKB1 (0.34) EDNRBEDNRA
SCHEMBL432210 0.82 ACACB (0.39) PTGS2ESR1ESR2

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
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 EDNRB 4122/4885EDNRA 4159/4885PTGS2 3414/4885

“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.