SCHEMBL18358786

SCHEMBL18358786

CC(C)(C)c1ccc(I)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CES2 O00748 2/20 0.37
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ESRRG P62508 1/20 0.35
TSHR P16473 1/20 0.34
ACHE P22303 1/20 0.34
AR P10275 3/20 0.33
CFTR P13569 1/20 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
SCHEMBL7630799 0.85 CES2 (0.50) KIF11ALDH1A1HPGDHSD17B10CES2
SCHEMBL22560745 0.85 ALDH1A1 (0.43) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL13171669 0.80 KIF11 (0.47) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL23154865 0.78 GAA (0.50) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL12773797 0.78 KIF11 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL15362777 0.78 KIF11 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25171415 0.78 APP (0.50) ALDH1A1HPGDHSD17B10CES2ESRRG
SCHEMBL7847418 0.77 PTPN7 (0.47) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL799856 0.77 KIF11 (0.44) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL3198894 0.76 ALDH1A1 (0.36) KIF11ALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 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-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KIF11 4047/4885ALDH1A1 1436/4885HPGD 1797/4885

“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.