SCHEMBL18181799

SCHEMBL18181799

Cc1cc(Oc2cccc(F)c2F)cc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
F10 P00742 1/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 3/20 0.37
KCNH2 Q12809 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASP1 P29466 1/20 0.36
BTK Q06187 2/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL16792647 0.86 ALDH1A1 (0.42) TRPA1LMNAGAAEGLN1F10
SCHEMBL16814432 0.85 TRPA1 (0.41) TRPA1LMNAGAAHTTMAPK1
Hydrochloric Acid SCHEMBL16792572 0.84 TRPA1 (0.40) TRPA1LMNAGAAHTTMAPK1
SCHEMBL18181864 0.84 HTR2A (0.49) TRPA1LMNAGAAHTTSLC6A4
SCHEMBL21572218 0.83 TRPA1 (0.39) TRPA1GAAEGLN1F10SLC6A4
SCHEMBL18331726 0.83 TRPA1 (0.39) TRPA1LMNAGAAHTTMAPK1
SCHEMBL16792417 0.80 GAA (0.44) TRPA1GAAF10SLC6A4HTR2A
SCHEMBL16792375 0.80 TRPA1 (0.39) TRPA1GAAEGLN1F10SLC6A4
SCHEMBL16792679 0.80 ALDH1A1 (0.46) EGLN1MAPTSMN1; SMN2NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL16792418 0.79 TRPA1 (0.39) TRPA1GAAEGLN1F10SLC6A4

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-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 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-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN TRPA1 2395/4885LMNA 4107/4885GAA 637/4885

“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.