SCHEMBL6883399

SCHEMBL6883399

CC(C)C1CCC(O)C(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
SHBG P04278 1/20 0.35
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL6758029 1.00 TRPA1 (0.37) TRPA1TRPM8SHBGROCK2ROCK1
SCHEMBL6757991 1.00 TRPA1 (0.37) TRPA1TRPM8SHBGROCK2ROCK1
SCHEMBL7745825 0.88 TRPA1 (0.39) TRPA1TRPM8SHBG
SCHEMBL7745828 0.88 TRPA1 (0.39) TRPA1TRPM8SHBG
SCHEMBL10297543 0.88 TRPA1 (0.39) TRPA1TRPM8SHBG
SCHEMBL6757777 0.84 CA1 (0.46) TRPA1TRPM8SHBG
SCHEMBL6757780 0.84 CA1 (0.46) TRPA1TRPM8SHBG
SCHEMBL6757779 0.84 CA1 (0.46) TRPA1TRPM8SHBG
SCHEMBL6757782 0.84 CA1 (0.46) TRPA1TRPM8SHBG
SCHEMBL15369688 0.84 CA1 (0.46) TRPA1TRPM8SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-12 US disclosed
US-20110009578-A1 Use Of A Combination Chain Transfer And Activating Agent To Control Molecular Weight And Optical Density Of Pd Catalyzed Norbornene Polymers PROMERUS LLC (US) 2011-01-13 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 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-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 TRPA1 2963/4885TRPM8 3497/4885SHBG 1939/4885

“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.