SCHEMBL10196081

SCHEMBL10196081

CCc1ccc(Oc2ncc(Cl)cc2F)cc1C1=C(O)C2C(C1=O)[C@H]1CC[C@@H]2CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.37
PPARG P37231 1/20 0.36
BTK Q06187 8/20 0.36
LTA4H P09960 7/20 0.35
KCNH2 Q12809 5/20 0.35
EGFR P00533 4/20 0.35
BACE2 Q9Y5Z0 2/20 0.34
IP6K1 Q92551 1/20 0.34

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
SCHEMBL19070614 1.00 BACE1 (0.37) BACE1PPARGBTKLTA4HKCNH2
SCHEMBL19070715 0.96 BACE1 (0.36) BACE1PPARGBTKLTA4HKCNH2
SCHEMBL13190200 0.96 BACE1 (0.36) BACE1PPARGBTKLTA4HKCNH2
SCHEMBL10196112 0.96 BACE1 (0.36) BACE1PPARGBTKLTA4HKCNH2
SCHEMBL10196259 0.91 MAPK1 (0.44) PPARGIP6K1
SCHEMBL19070882 0.91 MAPK1 (0.44) PPARGIP6K1
SCHEMBL10196296 0.89 SCN9A (0.33) BACE1
SCHEMBL10196314 0.89 BACE1 (0.37) BACE1PPARGBTKLTA4HKCNH2
SCHEMBL19070681 0.89 BACE1 (0.37) BACE1PPARGBTKLTA4HKCNH2
SCHEMBL19071475 0.89 SCN9A (0.33) BACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885PPARG 101/4885BTK 2749/4885

“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.