SCHEMBL10195192

SCHEMBL10195192

CCc1ccc(Oc2ccc(C#N)cc2F)cc1C1=C(O)CC(C)(C)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
HTR2A P28223 3/20 0.33
KCNH2 Q12809 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC6A4 P31645 1/20 0.33
MAPK14 Q16539 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
KDM4E B2RXH2 1/20 0.33
AR P10275 1/20 0.32
TBXA2R P21731 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 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
SCHEMBL10195141 0.88 MAPK14 (0.43) ALDH1A1TSHRCASP1CASP7HSD17B10
SCHEMBL10195497 0.88 AR (0.39) AR
SCHEMBL16351661 0.87 ALDH1A1 (0.36) ALDH1A1TSHRCASP1CASP7HSD17B10
SCHEMBL10196191 0.87 HTR2A (0.35) NR3C1PGRNR3C2HTR2AKCNH2
SCHEMBL10195470 0.86 CYP11B2 (0.33) HTR2AKCNH2SLC6A4MAPK14USP30
SCHEMBL10195143 0.86 MAPT (0.36) ALDH1A1TSHRCASP1CASP7HSD17B10
SCHEMBL10195111 0.86 SLC6A4 (0.40) ALDH1A1HTR2AKCNH2SMN1; SMN2SLC6A4
SCHEMBL10195172 0.81 SLC6A4 (0.41) ALDH1A1TSHRCASP1CASP7HSD17B10
SCHEMBL10195109 0.80 SMN1; SMN2 (0.39) ALDH1A1TSHRCASP1CASP7HSD17B10
SCHEMBL10195099 0.80 HTR2A (0.33) NR3C1PGRNR3C2HTR2AKCNH2

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 ALDH1A1 45/4885TSHR 1474/4885CASP1 787/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885TSHR 1306/4885CASP1 1144/4885

“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.