SCHEMBL10195667

SCHEMBL10195667

CCC(=O)OC1=C(c2cc(Oc3ccc(C#N)cc3F)ccc2CC)C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.31
GPR119 Q8TDV5 3/20 0.31
USP30 Q70CQ3 1/20 0.31
HTR2A P28223 2/20 0.31
KCNH2 Q12809 2/20 0.31
SLC6A4 P31645 1/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
CYP11B1 P15538 1/20 0.30
MAP2K1 Q02750 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
SCHEMBL10195668 0.94 TBXA2R (0.32) TBXA2RGPR119USP30FFAR1FFAR4
SCHEMBL416035 0.92 TBXA2R (0.32) TBXA2RGPR119USP30HTR2AKCNH2
SCHEMBL10254129 0.91 TBXA2R (0.33) TBXA2RGPR119HTR2AKCNH2SLC6A4
SCHEMBL10195671 0.91 FFAR1 (0.32) TBXA2RGPR119USP30HTR2AKCNH2
SCHEMBL10195672 0.90 KDM4E (0.32) TBXA2RMAP2K1
SCHEMBL16351686 0.88 PPARG (0.33)
SCHEMBL10195099 0.86 HTR2A (0.33) TBXA2RGPR119HTR2AKCNH2SLC6A4
SCHEMBL16351693 0.81 KMT2A (0.34)
SCHEMBL16351673 0.80 PPARG (0.33)
SCHEMBL16351668 0.79 KMT2A (0.37)

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 TBXA2R 4116/4885GPR119 146/4885USP30 2236/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 TBXA2R 4091/4885GPR119 126/4885USP30 2258/4885

“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.