SCHEMBL10053348

SCHEMBL10053348

Cc1c(C(=O)O)ccc(C(F)(F)F)c1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.51
DHODH Q02127 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
NOTUM Q6P988 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
DAO P14920 1/20 0.41
ASPH Q12797 1/20 0.41
CES2 O00748 2/20 0.40
USP2 O75604 1/20 0.40
CYP2C19 P33261 1/20 0.40
HAAO P46952 1/20 0.40
CYP1A2 P05177 1/20 0.39
SORT1 Q99523 3/20 0.39

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
SCHEMBL30634615 0.85 TAS2R14 (0.45) TAS2R14DHODHHDAC6RXRARXRB
SCHEMBL1634606 0.85 TAS2R14 (0.45) TAS2R14DHODHHDAC6RXRARXRB
SCHEMBL1235350 0.85 TAS2R14 (0.49) TAS2R14DHODHHDAC6RXRARXRB
SCHEMBL9685114 0.85 TAS2R14 (0.49) TAS2R14DHODHHDAC6RXRARXRB
SCHEMBL27466963 0.85 TAS2R14 (0.45) TAS2R14DHODHHDAC6RXRARXRB
SCHEMBL10053350 0.84 KIF11 (0.41) TAS2R14DHODHHDAC6RXRARXRB
SCHEMBL2477406 0.83 TAS2R14 (0.48) TAS2R14DHODHHDAC6RXRARXRB
SCHEMBL20711420 0.83 TAS2R14 (0.48) TAS2R14DHODHHDAC6RXRARXRB
SCHEMBL1223395 0.83 KDM4E (0.46) TAS2R14DHODHHDAC6RXRARXRB
SCHEMBL8621898 0.83 TAS2R14 (0.44) TAS2R14DHODHHDAC6RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102482203-B Carbocyclic GLYT1 receptor antagonists HOFFMANN LA ROCHE 2015-06-03 CN disclosed
US-8563779-B2 (4-trifluoromethyl-3-thiobenzoyl)cyclohexanediones and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-10-22 US disclosed
US-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 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 (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-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, DDT, CYP4X1 TAS2R14 1358/4885DHODH 283/4885HDAC6 2529/4885

“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.