SCHEMBL3403155

SCHEMBL3403155

CCC(=O)/C(C)=C/c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.60
ABCB11 O95342 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
FBP1 P09467 1/20 0.47
PTGS2 P35354 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL3403157 1.00 TRPA1 (0.60) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL3402797 0.86 TRPA1 (0.67) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL3402795 0.86 TRPA1 (0.67) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL30752456 0.83 MAPT (0.45) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL3405836 0.83 TRPA1 (0.68) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL3405838 0.83 TRPA1 (0.68) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL9678322 0.81 TRPA1 (0.53) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL912464 0.81 TRPA1 (0.53) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL912465 0.81 TRPA1 (0.53) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL31352034 0.81 AKR1C3 (0.64) MEN1KMT2AFBP1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US disclosed
EP-2249820-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-11-17 EP disclosed
WO-2010038124-A1 AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE AUROBINDO PHARMA LIMITED (IN) 2010-04-08 WO disclosed
WO-2009089082-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-07-16 WO 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 1/4885ABCB11 861/4885SIGMAR1 303/4885

“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.