SCHEMBL26746374

SCHEMBL26746374

Cc1c(O)cccc1/C=C/c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.68
▸ PTGS1 P23219 2/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ TTR P02766 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ RELA Q04206 1/20 0.47
▸ NFE2L2 Q16236 3/20 0.47
▸ ABL1 P00519 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ AHR P35869 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL27590087 1.00 TRPA1 (0.68) TRPA1PTGS1PTGS2TTRALOX5
SCHEMBL27992 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
SCHEMBL30218372 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
Benzene SCHEMBL27382741 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
SCHEMBL3464547 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
SCHEMBL27991 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
SCHEMBL717978 0.80 TRPA1 (0.73) TRPA1PTGS1PTGS2TTRALOX5
SCHEMBL9743428 0.80 TRPA1 (0.73) TRPA1PTGS1PTGS2TTRALOX5
SCHEMBL842427 0.80 NFE2L2 (0.50) TRPA1PTGS1PTGS2TTRALOX5
SCHEMBL842428 0.80 NFE2L2 (0.50) TRPA1PTGS1PTGS2TTRALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355557-A1 ANTIVIRAL SOX INHIBITORS GERTRUDE BIOMEDICAL PTY LTD (AU) 2023-11-09 — — 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-20230355557-A1 ANTIVIRAL SOX INHIBITORS SOX18, IRF3, YBX1 TRPA1 4591/4885PTGS1 2521/4885PTGS2 3523/4885

“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.

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