SCHEMBL17827414

SCHEMBL17827414

C#CCOC(=O)[C@@H]1[C@@H](C)CCCC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
PNLIP P16233 1/20 0.35
F10 P00742 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL21433259 1.00 POLB (0.35) POLBPNLIPF10ALDH1A1
SCHEMBL4608105 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL812446 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4608110 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4606378 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4606370 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL20865951 0.79 LMNA (0.32)
SCHEMBL17827415 0.79 LMNA (0.32)
SCHEMBL21433258 0.77 GAA (0.40) ALDH1A1
SCHEMBL17821217 0.77 GAA (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3024427-B1 DERIVATIVES OF 2,2,6-TRIMETHYLCYCLOHEXANE-CARBOXYLATE TAKASAGO PERFUMERY CO LTD (JP) 2019-10-09 EP disclosed
US-10252975-B2 Derivatives of 2,2,6-trimethylcyclohexane-carboxylate TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-04-09 US disclosed
US-20160168074-A1 DERIVATIVES OF 2,2,6-TRIMETHYLCYCLOHEXANE-CARBOXYLATE TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-16 US disclosed
US-20160168074-A1 DERIVATIVES OF 2,2,6-TRIMETHYLCYCLOHEXANE-CARBOXYLATE TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-16 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-10252975-B2 Derivatives of 2,2,6-trimethylcyclohexane-carboxylate TAS2R13, TAS2R5, TAS2R50 POLB 3386/4885PNLIP 1082/4885F10 2416/4885
US-20160168074-A1 DERIVATIVES OF 2,2,6-TRIMETHYLCYCLOHEXANE-CARBOXYLATE TAS2R13, TAS2R5, TAS2R50 POLB 3386/4885PNLIP 1082/4885F10 2416/4885

“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.