SCHEMBL17827412

SCHEMBL17827412

C[C@H]1CCCC(C)(C)[C@@H]1C(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.33
EPHX1 P07099 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 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
SCHEMBL17821235 1.00 UGT2B7 (0.33) UGT2B7EPHX1CYP1A2HPGD
SCHEMBL28166839 0.83 UGT2B7 (0.35) UGT2B7EPHX1CYP1A2
SCHEMBL4152574 0.82 UGT2B7 (0.45) UGT2B7EPHX1CYP1A2
SCHEMBL4605622 0.82 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2
SCHEMBL4608224 0.82 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2
SCHEMBL4152571 0.82 UGT2B7 (0.45) UGT2B7EPHX1CYP1A2
SCHEMBL4606059 0.82 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2
SCHEMBL7169835 0.82 UGT2B7 (0.45) UGT2B7EPHX1CYP1A2
SCHEMBL21441575 0.82 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2
SCHEMBL4605915 0.82 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2

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 5 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-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 UGT2B7 1293/4885EPHX1 4127/4885CYP1A2 1614/4885
US-20160168074-A1 DERIVATIVES OF 2,2,6-TRIMETHYLCYCLOHEXANE-CARBOXYLATE TAS2R13, TAS2R5, TAS2R50 UGT2B7 1293/4885EPHX1 4127/4885CYP1A2 1614/4885

“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.