SCHEMBL10195199

SCHEMBL10195199

CCc1ccc(Oc2ccc(Cl)cc2)cc1C1=C(O)[C@@H]2CC[C@](C)(C1=O)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
HSD11B1 P28845 1/20 0.33
NR1I2 O75469 1/20 0.32
S1PR5 Q9H228 1/20 0.32
DRD2 P14416 1/20 0.31
PPARG P37231 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 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
SCHEMBL13286427 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDMAOAMAOB
SCHEMBL10195419 0.91 LTB4R (0.33) ALDH1A1FFAR4NR1I2PPARGSMN1; SMN2
SCHEMBL16351665 0.91 NR1I2 (0.41) ALDH1A1KDM4EHPGDHSD11B1NR1I2
SCHEMBL10195410 0.90 MAOA (0.38) ALDH1A1KDM4EHPGDMAOAMAOB
SCHEMBL10195004 0.89 FFAR1 (0.37) ALDH1A1KDM4EHPGDHSD11B1NR1I2
SCHEMBL13286407 0.89 FFAR1 (0.37) ALDH1A1KDM4EHPGDHSD11B1NR1I2
SCHEMBL13286405 0.89 HTR2A (0.35) ALDH1A1KDM4EHPGDHSD11B1HTR2A
SCHEMBL16181160 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDHSD11B1NR1I2
SCHEMBL10195197 0.89 HTR2A (0.35) ALDH1A1KDM4EHPGDHSD11B1HTR2A
SCHEMBL10195198 0.89 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD11B1HTR2A

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 7 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

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 45/4885KDM4E 712/4885HPGD 2028/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885KDM4E 1092/4885HPGD 2284/4885

“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.