SCHEMBL10196313

SCHEMBL10196313

CCc1ccc(Oc2ncc(C(F)(F)F)cc2F)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
HCRTR1 O43613 9/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
KDR P35968 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL19070966 1.00 SCN9A (0.37) SCN9AHCRTR1LMNASMN1; SMN2RAB9A
SCHEMBL19070615 0.92 LMNA (0.33) LMNASMN1; SMN2RAB9AFFAR1ALDH1A1
SCHEMBL10196323 0.92 LMNA (0.33) LMNASMN1; SMN2RAB9AFFAR1ALDH1A1
SCHEMBL19071208 0.91 RAB9A (0.44) LMNASMN1; SMN2RAB9AFFAR1ALDH1A1
SCHEMBL10196311 0.91 RAB9A (0.44) LMNASMN1; SMN2RAB9AFFAR1ALDH1A1
SCHEMBL19071593 0.89 SCN9A (0.38) SCN9AHCRTR1LMNASMN1; SMN2RAB9A
SCHEMBL10196265 0.89 SCN9A (0.38) SCN9AHCRTR1LMNASMN1; SMN2RAB9A
SCHEMBL19070681 0.88 BACE1 (0.37) BACE1BACE2
SCHEMBL10196314 0.88 BACE1 (0.37) BACE1BACE2
SCHEMBL10196310 0.86 MAPK1 (0.42) SCN9ALMNA

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 SCN9A 2224/4885HCRTR1 54/4885LMNA 4657/4885

“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.