SCHEMBL10195147

SCHEMBL10195147

CCc1ccc(Oc2ccc(Cl)c(F)c2)cc1C1=C(O)C(C)(C)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.36
SLC6A4 P31645 5/20 0.36
KCNH2 Q12809 5/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
ACACB O00763 6/20 0.35
ACACA Q13085 6/20 0.35
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
PTGS1 P23219 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
SCHEMBL10195145 0.87 S1PR2 (0.36) MAPTHPGDKMT2APPARGPPARA
SCHEMBL10195144 0.87 MAOB (0.38) HTR2ASLC6A4KCNH2ALDH1A1HPGD
SCHEMBL11940686 0.86 ACACB (0.44) ACACBACACAPTGS1PTGS2
SCHEMBL10196168 0.84 HTR2A (0.40) HTR2ASLC6A4KCNH2CTSDBACE1
SCHEMBL10195170 0.82 HTR2A (0.38) HTR2ASLC6A4KCNH2CTSDBACE1
SCHEMBL10194979 0.80 SMN1; SMN2 (0.39) HTR2ASLC6A4KCNH2CTSDBACE1
SCHEMBL11940681 0.78 PGR (0.44) SLC6A4ACACBACACACYP3A4CYP2C9
SCHEMBL10195113 0.78 HTR2A (0.37) HTR2ASLC6A4KCNH2CTSDBACE1
SCHEMBL11940692 0.78 ACACB (0.33) ACACBACACACYP3A4CYP2C9CYP2C19
SCHEMBL11940689 0.78 ACACB (0.34) ACACBACACAPTGS1PTGS2

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 HTR2A 1192/4885SLC6A4 1501/4885KCNH2 1267/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTR2A 1320/4885SLC6A4 1443/4885KCNH2 1805/4885

“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.