SCHEMBL4622479

SCHEMBL4622479

CC(C)C1[CH]C[C@@H](C)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32

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
SCHEMBL3422050 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL20358052 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL522463 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL3422054 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL43485 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL521672 1.00 TRPA1 (0.32) TRPA1TRPM8
Dimethyl Sulfoxide SCHEMBL7538397 0.89
SCHEMBL283746 0.74
SCHEMBL14109264 0.69
SCHEMBL8479861 0.68 SIGMAR1 (0.41) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421769-B2 Anticancer property studies of chiral palladium N-heterocyclic carbene complexes and process for preparation thereof India Institute of Technology Bombay (IN) 2019-09-24 US claimed
US-20180194789-A1 ANTICANCER PROPERTY STUDIES OF CHIRAL PALLADIUM N-HETEROCYCLIC CARBENE COMPLEXES AND PROCESS FOR PREPARATION THEREOF India Institute of Technology Bombay (IN) 2018-07-12 US claimed
US-10421769-B2 Anticancer property studies of chiral palladium N-heterocyclic carbene complexes and process for preparation thereof India Institute of Technology Bombay (IN) 2019-09-24 US disclosed
US-20180194789-A1 ANTICANCER PROPERTY STUDIES OF CHIRAL PALLADIUM N-HETEROCYCLIC CARBENE COMPLEXES AND PROCESS FOR PREPARATION THEREOF India Institute of Technology Bombay (IN) 2018-07-12 US disclosed
EP-1896557-A1 FLAVOR AND FRAGRANCE COMPOSITION Takasago International Corporation (JP) 2008-03-12 EP disclosed
WO-2006137556-A1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-12-28 WO disclosed
US-20050256133-A1 Thio-substituted arylmethanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-11-17 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 (3 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-20050256133-A1 Thio-substituted arylmethanesulfinyl derivatives HTR1A, SLC6A3, HTR3B TRPA1 2397/4885TRPM8 3298/4885
US-10421769-B2 Anticancer property studies of chiral palladium N-heterocyclic carbene complexes and process for preparation thereof PDCD1LG2, PDCD1, ODC1 TRPA1 4344/4885TRPM8 3089/4885
US-20180194789-A1 ANTICANCER PROPERTY STUDIES OF CHIRAL PALLADIUM N-HETEROCYCLIC CARBENE COMPLEXES AND PROCESS FOR PREPARATION THEREOF PDCD1LG2, PDCD1, MCL1 TRPA1 4237/4885TRPM8 2967/4885

“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.