SCHEMBL10195322

SCHEMBL10195322

CCc1ccc(Oc2ccc(Cl)cc2Cl)cc1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.38
SLC6A4 P31645 7/20 0.38
KCNH2 Q12809 7/20 0.38
FFAR1 O14842 3/20 0.37
HIF1A Q16665 1/20 0.35
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RORC P51449 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL16351657 0.92 HTR2A (0.33) HTR2ASLC6A4KCNH2
SCHEMBL10195168 0.91 SLC6A4 (0.38) HTR2ASLC6A4KCNH2HIF1ARORC
SCHEMBL10195320 0.91 HTR2A (0.35) HTR2ASLC6A4KCNH2
SCHEMBL10195119 0.90 MMP1 (0.36) HTR2ASLC6A4KCNH2PPARGPPARA
SCHEMBL10195471 0.89 FFAR1 (0.39) HTR2ASLC6A4KCNH2FFAR1PPARG
SCHEMBL16351683 0.88 PPARD (0.33) HTR2ASLC6A4KCNH2FFAR1PPARG
SCHEMBL16181204 0.85 HTR2A (0.35) HTR2ASLC6A4KCNH2
SCHEMBL10195476 0.85 LIPE (0.42) PPARG
SCHEMBL10195173 0.85 HTR2A (0.39) HTR2ASLC6A4KCNH2FFAR1HIF1A
SCHEMBL10195169 0.84 HTR2A (0.36) HTR2ASLC6A4KCNH2HIF1A

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.