SCHEMBL5533760

SCHEMBL5533760

C=CCOCC=C.Oc1ccccc1C=Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.68
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
NFKB1 P19838 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
NFE2L2 Q16236 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
JUN P05412 1/20 0.40
RELA Q04206 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
SCHEMBL5533754 1.00 TRPA1 (0.68) TRPA1ABL1ABCB1BCRNFKB1
SCHEMBL27992 0.82 TRPA1 (1.00) TRPA1ABL1ABCB1BCRNFKB1
SCHEMBL3464547 0.82 TRPA1 (1.00) TRPA1ABL1ABCB1BCRNFKB1
SCHEMBL27991 0.82 TRPA1 (1.00) TRPA1ABL1ABCB1BCRNFKB1
Benzene SCHEMBL27382741 0.82 TRPA1 (1.00) TRPA1ABL1ABCB1BCRNFKB1
SCHEMBL30218372 0.82 TRPA1 (1.00) TRPA1ABL1ABCB1BCRNFKB1
SCHEMBL28990965 0.81 TRIM24 (0.42) TRPA1NFKB1CA1CA2CA4
Formaldehyde SCHEMBL20525513 0.81 TRPA1 (0.88) TRPA1ABL1ABCB1BCRNFKB1
Formaldehyde SCHEMBL27679663 0.81 TRPA1 (0.88) TRPA1ABL1ABCB1BCRNFKB1
SCHEMBL9419814 0.80 TRPA1 (0.95) TRPA1ABL1ABCB1BCRNFKB1

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-20070015840-A1 Use of an alkyl ether of hydroxystilbene for the treatment of dry skin L'OREAL (FR) 2007-01-18 US claimed

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-20070015840-A1 Use of an alkyl ether of hydroxystilbene for the treatment of dry skin CYP8B1, HSD17B11, HSD17B1 TRPA1 876/4885ABL1 4538/4885ABCB1 4308/4885

“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.