SCHEMBL3402797

SCHEMBL3402797

CCCC(=O)C(C)=Cc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.67
ABCB11 O95342 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FBP1 P09467 1/20 0.45
HTR7 P34969 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGS2 P35354 2/20 0.41
HPGD P15428 1/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL3402795 1.00 TRPA1 (0.67) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL3405836 0.90 TRPA1 (0.68) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL3405838 0.90 TRPA1 (0.68) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL3403155 0.86 TRPA1 (0.60) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL3403157 0.86 TRPA1 (0.60) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL4448485 0.80 TRPA1 (1.00) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL1499481 0.80 TRPA1 (1.00) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL1499480 0.80 TRPA1 (1.00) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL25904900 0.78 TRPA1 (0.60) TRPA1ABCB11SIGMAR1MEN1KMT2A
SCHEMBL28091426 0.76 MAPT (0.57) TRPA1MEN1KMT2AMAPTCYP1A2

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 disclosed
EP-2249820-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-11-17 EP 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.