SCHEMBL10195656

SCHEMBL10195656

CC1(C)OC(C)(C)C(O)=C(c2cc(Oc3ncc(C(F)(F)F)cc3C(F)(F)F)ccc2C2CC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.32
DRD1 P21728 2/20 0.32
PTGS2 P35354 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
LIPE Q05469 1/20 0.30
SCN9A Q15858 4/20 0.30
KDR P35968 2/20 0.30
BRAF P15056 1/20 0.30
CETP P11597 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SCN7A Q01118 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 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
SCHEMBL10195639 0.91 RAB9A (0.49) RAB9ALMNASMN1; SMN2LIPESCN9A
SCHEMBL10195666 0.91 RAB9A (0.33) RAB9ADRD1ALOX5APFEN1SCN9A
SCHEMBL10195267 0.85 RAB9A (0.37) RAB9ALMNADRD1SMN1; SMN2LIPE
SCHEMBL10195633 0.81 MRGPRX4 (0.32)
SCHEMBL16181161 0.81 MRGPRX4 (0.35) KDRBRAFALDH1A1
SCHEMBL10195641 0.81 MAPK1 (0.45) RAB9ALMNADRD1PTGS2SMN1; SMN2
SCHEMBL16180990 0.80 RAB9A (0.34) RAB9ALMNADRD1SMN1; SMN2
SCHEMBL10195632 0.79 FFAR1 (0.44) KCNH2
SCHEMBL10195653 0.79 SCN9A (0.37) SCN9A
SCHEMBL10195622 0.79 MMP9 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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 (2 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 RAB9A 2665/4885LMNA 4151/4885DRD1 405/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 RAB9A 3044/4885LMNA 4657/4885DRD1 325/4885

“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.