SCHEMBL10195482

SCHEMBL10195482

CCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1C1=C(O)CC(C)(C)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
FFAR1 O14842 5/20 0.42
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
PPARD Q03181 3/20 0.39
HTR2A P28223 4/20 0.39
SLC6A4 P31645 4/20 0.39
KCNH2 Q12809 4/20 0.39
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ESRRA P11474 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16351659 0.94 ALDH1A1 (0.38) ALDH1A1MAPK1FFAR1MEN1TTR
SCHEMBL10195485 0.89 ALDH1A1 (0.39) ALDH1A1MAPK1PPARDHTR2ASLC6A4
SCHEMBL10195172 0.89 SLC6A4 (0.41) ALDH1A1MEN1KMT2AHTR2ASLC6A4
SCHEMBL10195173 0.88 HTR2A (0.39) ALDH1A1FFAR1TTRTDP1MRGPRX4
SCHEMBL10196193 0.87 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL16351656 0.87 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ATDP1HTR2A
SCHEMBL10195471 0.86 FFAR1 (0.39) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10195191 0.85 RAB9A (0.47) ALDH1A1FFAR1KMT2ATDP1PPARG
SCHEMBL10195487 0.84 ALDH1A1 (0.38) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL16181149 0.82 AR (0.37) ALDH1A1MAPK1MEN1KMT2ATDP1

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 45/4885MAPK1 2927/4885FFAR1 1022/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885MAPK1 2263/4885FFAR1 752/4885

“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.