SCHEMBL7128529

SCHEMBL7128529

Cc1ccc(C(O)C(F)(F)F)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.57
LMNA P02545 2/20 0.57
CHRM1 P11229 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR2B P41595 1/20 0.57
SRC P12931 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL7070057 0.85 TRPA1 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL19828711 0.82 TP53 (0.40) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7117948 0.81 TRPA1 (0.57) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL18791373 0.81 PDE2A (0.43) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7127152 0.80 TYR (0.43)
SCHEMBL25160178 0.79 TRPA1 (0.37) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL26197643 0.79 LMNA (0.37) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL14141979 0.78 TDP1 (0.35) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL9194021 0.77 TRPA1 (0.68) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7125847 0.77 TSHR (0.41) ADRA1ATDP1ALDH1A1ALOX15HSD17B10

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
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US disclosed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP disclosed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 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-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 TRPA1 3441/4885LMNA 2235/4885CHRM1 94/4885

“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.