SCHEMBL7119138

SCHEMBL7119138

Cc1ccc(O)c(C(O)C(Cl)(Cl)Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 4/20 0.42
CHRM1 P11229 3/20 0.42
ADRA1A P35348 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2B P41595 1/20 0.42
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 4/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM3 P20309 2/20 0.38

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
SCHEMBL7117948 0.85 TRPA1 (0.57) TRPA1TP53TDP1LMNACHRM1
SCHEMBL7070057 0.81 TRPA1 (0.45) TRPA1TP53TDP1LMNACHRM1
SCHEMBL7125829 0.80 TYR (0.42) LMNAALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL10784157 0.78 SELL (0.37) LMNAALDH1A1HPGDMAPTGAA
SCHEMBL218020 0.77 TRPA1 (0.54) TRPA1TP53TDP1LMNACHRM1
SCHEMBL27562673 0.77 TRPA1 (0.54) TRPA1TP53TDP1LMNACHRM1
SCHEMBL30631004 0.77 TRPA1 (0.54) TRPA1TP53TDP1LMNACHRM1
SCHEMBL10855849 0.77 CA3 (0.39) ADRA1APTGS1ADRB2NPC1IDO1
SCHEMBL7118636 0.77 CA1 (0.45) TDP1ALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL23172330 0.76 PDE2A (0.39) TRPA1LMNACHRM1ADRA1ASLC6A2

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 3441/4885TP53 2716/4885TDP1 2515/4885

“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.