SCHEMBL10196237

SCHEMBL10196237

CCc1ccc(Oc2ccc(C(F)(F)F)cc2Br)cc1C1=C(O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.36
THRB P10828 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP3A4 P08684 2/20 0.36
ESRRA P11474 1/20 0.36
ATM Q13315 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 5/20 0.35
KCNH2 Q12809 5/20 0.35
SCN8A Q9UQD0 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
THRA P10827 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL16257077 0.90 FFAR1 (0.40) SLC6A4ATMLMNAMAPTL3MBTL1
SCHEMBL10196193 0.88 FFAR1 (0.45) SLC6A4HTR2AKCNH2SCN8ASCN10A
SCHEMBL10195485 0.87 ALDH1A1 (0.39) SLC6A4THRBCYP1A2CYP2C9CYP2C19
SCHEMBL10196231 0.85 KDM4E (0.48) CYP2C9ESRRALMNAMAPTL3MBTL1
SCHEMBL10196166 0.81 MAPK14 (0.37) LMNA
SCHEMBL10196249 0.80 CYP3A4 (0.35) SLC6A4THRBCYP1A2CYP2C9CYP2C19
SCHEMBL19071584 0.80 CYP3A4 (0.35) SLC6A4THRBCYP1A2CYP2C9CYP2C19
SCHEMBL10196199 0.80 MAPK1 (0.48) THRBLMNAKCNH2SCN10ASCN9A
SCHEMBL10258327 0.79 SLC6A4 (0.32) SLC6A4THRBCYP1A2CYP2C9CYP2C19
SCHEMBL10195182 0.79 SLC6A4 (0.34) SLC6A4THRBCYP1A2CYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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 (1 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SLC6A4 1443/4885THRB 1157/4885CYP1A2 67/4885

“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.