Sugi Predict

Sugi Predict / Compounds / SCHEMBL10195485

SCHEMBL10195485

SCHEMBL10195485

CCc1ccc(Oc2ccc(C(F)(F)F)cc2Br)cc1C1=C(O)CC(C)(C)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ ESRRA P11474 1/20 0.35
▸ SLC6A4 P31645 5/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ WRN Q14191 1/20 0.34
▸ ATM Q13315 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR2A P28223 4/20 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
SCHEMBL10195482 0.89 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL10196237 0.87 SLC6A4 (0.36) MAPTCYP3A4ESRRASLC6A4CYP1A2
SCHEMBL16351659 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1KDM4EESRRASLC6A4
SCHEMBL16181149 0.82 AR (0.37) ALDH1A1MAPK1MAPTKDM4ESLC6A4
SCHEMBL10195143 0.82 MAPT (0.36) ALDH1A1MAPTKDM4EATMSMN1; SMN2
SCHEMBL10195188 0.81 MAPK1 (0.45) MAPK1MAPTNPSR1THRBLMNA
SCHEMBL10195141 0.81 MAPK14 (0.43) ALDH1A1MAPTKDM4ESLC6A4SMN1; SMN2
SCHEMBL10195142 0.80 ATM (0.42) ALDH1A1MAPTKDM4EGAACYP3A4
SCHEMBL10195182 0.80 SLC6A4 (0.34) MAPTKDM4ECYP3A4ESRRASLC6A4
SCHEMBL10195501 0.79 CYP1A2 (0.42) ALDH1A1MAPK1MAPTKDM4EGAA

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 ALDH1A1 45/4885MAPK1 2927/4885MAPT 3785/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885MAPK1 2263/4885MAPT 3903/4885

“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.