SCHEMBL10195004

SCHEMBL10195004

CCc1ccc(Oc2ccc(Cl)cc2Cl)cc1C1=C(O)[C@@H]2CC[C@](C)(C1=O)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
HSD11B1 P28845 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.33
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
TTR P02766 1/20 0.32
PGR P06401 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 1/20 0.32
HSPA5 P11021 1/20 0.32
CBR1 P16152 1/20 0.32

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
SCHEMBL13286407 1.00 FFAR1 (0.37) FFAR1HPGDKDM4EALDH1A1HTR2A
SCHEMBL10195198 0.92 KDM4E (0.36) HPGDKDM4EALDH1A1HTR2ASLC6A4
SCHEMBL13286426 0.92 KDM4E (0.36) HPGDKDM4EALDH1A1HTR2ASLC6A4
SCHEMBL10195428 0.91 HTR2A (0.33) HPGDKDM4EALDH1A1HTR2ASLC6A4
SCHEMBL10195199 0.89 ALDH1A1 (0.37) HPGDKDM4EALDH1A1HTR2ASLC6A4
SCHEMBL13286427 0.89 ALDH1A1 (0.37) HPGDKDM4EALDH1A1HTR2ASLC6A4
SCHEMBL10195531 0.89 FFAR1 (0.40) FFAR1HTR2ASLC6A4KCNH2MRGPRX4
SCHEMBL16181160 0.85 ALDH1A1 (0.35) HPGDKDM4EALDH1A1HTR2ASLC6A4
SCHEMBL10195197 0.85 HTR2A (0.35) HPGDKDM4EALDH1A1HTR2ASLC6A4
SCHEMBL13286405 0.85 HTR2A (0.35) HPGDKDM4EALDH1A1HTR2ASLC6A4

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 FFAR1 1022/4885HPGD 2028/4885KDM4E 712/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 FFAR1 752/4885HPGD 2284/4885KDM4E 1092/4885

“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.