SCHEMBL10195320

SCHEMBL10195320

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.35
SLC6A4 P31645 3/20 0.35
KCNH2 Q12809 3/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN11 Q06124 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16351657 0.92 HTR2A (0.33) HTR2ASLC6A4KCNH2
SCHEMBL10195322 0.91 HTR2A (0.38) HTR2ASLC6A4KCNH2
SCHEMBL10195048 0.90 MAPK14 (0.32)
SCHEMBL10195122 0.88 MAOB (0.37) ALDH1A1HTTTSHRNPC1HPGD
SCHEMBL10195471 0.87 FFAR1 (0.39) HTR2ASLC6A4KCNH2PTGDR2
SCHEMBL16351683 0.86 PPARD (0.33) HTR2ASLC6A4KCNH2
SCHEMBL10195052 0.85 ESR1 (0.32) ALDH1A1
SCHEMBL10195119 0.84 MMP1 (0.36) HTR2ASLC6A4KCNH2TSHRHPGD
SCHEMBL10195168 0.84 SLC6A4 (0.38) HTR2ASLC6A4KCNH2
SCHEMBL16181204 0.84 HTR2A (0.35) HTR2ASLC6A4KCNH2NPC1HPGD

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.