SCHEMBL10196191

SCHEMBL10196191

CCc1ccc(Oc2ccc(C#N)cc2F)cc1C1=C(O)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A4 P31645 1/20 0.35
MAPK14 Q16539 2/20 0.35
USP30 Q70CQ3 1/20 0.35
TBXA2R P21731 3/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 3/20 0.33
GPR119 Q8TDV5 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
EPAS1 Q99814 1/20 0.33
CYP11B1 P15538 1/20 0.32
PTGS2 P35354 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL19071019 0.88 MAPK14 (0.36) MAPK14USP30TBXA2RARGPR119
SCHEMBL10195192 0.87 ALDH1A1 (0.34) HTR2AKCNH2SLC6A4MAPK14USP30
SCHEMBL10196163 0.85 SLC6A4 (0.42) HTR2AKCNH2SLC6A4MAPK14
SCHEMBL10196166 0.85 MAPK14 (0.37) MAPK14
SCHEMBL10195470 0.82 CYP11B2 (0.33) HTR2AKCNH2SLC6A4MAPK14USP30
SCHEMBL10195171 0.81 MAPK14 (0.46) HTR2AKCNH2SLC6A4MAPK14PTGS2
SCHEMBL10196243 0.80 USP30 (0.35) HTR2AKCNH2SLC6A4MAPK14USP30
SCHEMBL19071210 0.80 USP30 (0.35) HTR2AKCNH2SLC6A4MAPK14USP30
SCHEMBL10195099 0.79 HTR2A (0.33) HTR2AKCNH2SLC6A4MAPK14TBXA2R
SCHEMBL19070670 0.79 TBXA2R (0.34) HTR2AKCNH2SLC6A4MAPK14TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2A 1320/4885KCNH2 1805/4885SLC6A4 1443/4885

“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.