SCHEMBL3418318

SCHEMBL3418318

C[C@@H]1CC[C@@H](C(C)(C)C)[C@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
TRPM8 Q7Z2W7 2/20 0.45
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
GBA1 P04062 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
SCHEMBL18833331 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL3293913 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL20903636 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL80732 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL12521907 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL12449334 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL13559128 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL18271744 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL80731 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4
SCHEMBL14130644 0.84 TRPA1 (0.43) TRPA1TRPM8CA1CA2CA4

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
CN-101517128-B Electrochemical production of sterically hindered amines BASF AG 2011-04-13 CN disclosed
US-7863486-B2 Electrochemical preparation of sterically hindered amines BASF SE (DE) 2011-01-04 US disclosed
EP-2041336-B1 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES BASF SE (DE) 2010-12-29 EP disclosed
US-20090253937-A1 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES BASF SE (DE) 2009-10-08 US disclosed
CN-101517128-A Electrochemical production of sterically hindered amines BASF AG (DE) 2009-08-26 CN disclosed
EP-2041336-A2 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES BASF SE (DE) 2009-04-01 EP disclosed
WO-2008003620-A2 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES BASF SE (DE) 2008-01-10 WO 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-20090253937-A1 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES AOC2, CYCS, SCO2 TRPA1 3199/4885TRPM8 4408/4885CA1 511/4885

“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.