SCHEMBL3762680

SCHEMBL3762680

CC(C)C/C=C1\OC(=O)C2=C1CCC=C2

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.68
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
Ligustilide SCHEMBL28151404 0.81 TRPA1 (1.00) TRPA1
Ligustilide SCHEMBL11967666 0.81 TRPA1 (1.00) TRPA1
Ligustilide SCHEMBL4087027 0.81 TRPA1 (1.00) TRPA1
SCHEMBL11967655 0.75 TRPA1 (0.61) TRPA1
Ligustilide SCHEMBL27599046 0.73 TRPA1 (0.81) TRPA1
SCHEMBL1872402 0.70 TRPA1 (0.54) TRPA1
SCHEMBL11967654 0.67 TRPA1 (0.51) TRPA1
SCHEMBL15470520 0.64 ALDH1A1 (0.66) TRPA1POLBMAPTRAB9A
SCHEMBL28015146 0.64 ALDH1A1 (0.66) TRPA1POLBMAPTRAB9A
SCHEMBL15160718 0.58 TRPA1 (0.40) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298427-A1 Anti-inflammatory compositions and their use DSM IP ASSETS B.V. (NL) 2010-11-25 US disclosed
US-20090176873-A1 NOVEL USE OF ORGANIC COMPOUNDS DSM IP ASSETS B.V. (NL) 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 (2 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-20090176873-A1 NOVEL USE OF ORGANIC COMPOUNDS F12, F13B, COL1A1 TRPA1 309/4885POLB 2666/4885MAPT 4338/4885
US-20100298427-A1 Anti-inflammatory compositions and their use COL1A1, COL2A1, F12 TRPA1 729/4885POLB 2953/4885MAPT 4260/4885

“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.