SCHEMBL10195103

SCHEMBL10195103

CCc1ccc(Oc2ccc(Cl)cc2Br)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.36
HTR2A P28223 7/20 0.36
KCNH2 Q12809 7/20 0.36
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
LGALS8 O00214 1/20 0.32
LGALS3 P17931 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL10195097 0.90 HTR2A (0.39) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL10195307 0.89 SLC6A4 (0.36) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL16351655 0.89 NPC1 (0.33) GAAALDH1A1
SCHEMBL10195083 0.88 SLC6A4 (0.38) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL10195308 0.88 SLC6A4 (0.38) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL10195021 0.87 MAOB (0.39) SLC6A4HTR2AKCNH2
SCHEMBL10195077 0.86 HTR2A (0.36) SLC6A4HTR2AKCNH2ALDH1A1
SCHEMBL10195373 0.86 HTR2A (0.36) SLC6A4HTR2AKCNH2
SCHEMBL10195182 0.86 SLC6A4 (0.34) SLC6A4HTR2AKCNH2THRB
SCHEMBL10195376 0.85 PDE7A (0.44) SLC6A4HTR2AKCNH2GAAALDH1A1

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