SCHEMBL10196310

SCHEMBL10196310

CCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
LIPE Q05469 4/20 0.42
SCN9A Q15858 13/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL19070671 1.00 MAPK1 (0.42) MAPK1LIPESCN9ASCN10ASCN7A
SCHEMBL19070965 0.89 MAPK1 (0.44) MAPK1LIPESCN9ASCN10ASCN7A
SCHEMBL10196256 0.89 MAPK1 (0.44) MAPK1LIPESCN9ASCN10ASCN7A
SCHEMBL10196313 0.86 SCN9A (0.37) SCN9ALMNA
SCHEMBL19070615 0.86 LMNA (0.33) LIPEKCNH2LMNA
SCHEMBL10196323 0.86 LMNA (0.33) LIPEKCNH2LMNA
SCHEMBL19070966 0.86 SCN9A (0.37) SCN9ALMNA
SCHEMBL19071208 0.86 RAB9A (0.44) LIPELMNA
SCHEMBL10196311 0.86 RAB9A (0.44) LIPELMNA
SCHEMBL10195568 0.83 MAPK1 (0.44) MAPK1LIPESCN9ASCN10ASCN7A

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 6 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
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAPK1 2263/4885LIPE 482/4885SCN9A 2224/4885

“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.