SCHEMBL4452015

SCHEMBL4452015

CCCC(/C=C/c1ccc(F)cc1)=NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 1.00
HSD11B1 P28845 1/20 0.46
ABCB11 O95342 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TNFRSF1A P19438 1/20 0.42
MAOB P27338 2/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
NFE2L2 Q16236 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL1499454 1.00 TRPA1 (1.00) TRPA1HSD11B1ABCB11SIGMAR1TNFRSF1A
SCHEMBL1499452 1.00 TRPA1 (1.00) TRPA1HSD11B1ABCB11SIGMAR1TNFRSF1A
SCHEMBL4450936 0.90 TRPA1 (0.82) TRPA1HSD11B1ABCB11SIGMAR1TNFRSF1A
SCHEMBL4450932 0.90 TRPA1 (0.82) TRPA1HSD11B1ABCB11SIGMAR1TNFRSF1A
SCHEMBL4450935 0.90 TRPA1 (0.82) TRPA1HSD11B1ABCB11SIGMAR1TNFRSF1A
SCHEMBL1499368 0.86 TRPA1 (1.00) TRPA1HSD11B1ABCB11SIGMAR1TNFRSF1A
SCHEMBL4451132 0.86 TRPA1 (1.00) TRPA1HSD11B1ABCB11SIGMAR1TNFRSF1A
SCHEMBL1499367 0.86 TRPA1 (1.00) TRPA1HSD11B1ABCB11SIGMAR1TNFRSF1A
SCHEMBL4457739 0.86 TRPA1 (1.00) TRPA1HSD11B1ABCB11SIGMAR1TNFRSF1A
SCHEMBL9004081 0.83 TRPA1 (0.71) TRPA1MAOBLMNATP53GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US claimed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 US claimed
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US disclosed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 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-20090176883-A1 TRPA1 Antagonists TRPA1, TRPV1, TRPV3 TRPA1 1/4885HSD11B1 3384/4885ABCB11 861/4885

“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.