Isopulegol

Isopulegol

SCHEMBL8818931

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

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
▸ EPHX1 P07099 1/20 0.31
▸ CES2 O00748 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
Isopulegol SCHEMBL8814498 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL8816208 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL18828953 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL15013625 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL8813812 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL5043480 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL20903638 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL20903648 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL20681722 1.00 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
Isopulegol SCHEMBL8618394 1.00 TRPA1 (0.45) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717973-B2 Method for the biocatalytic cyclization of terpenes and cyclase mutants employable therein BASF SE (DE) 2020-07-21 — — US disclosed
US-10421703-B2 Ruthenium-phenol catalysts for transfer hydrogenation reactions BASF SE (DE) 2019-09-24 — — US disclosed
EP-2640835-B1 METHOD FOR THE BIOCATALYTIC CYCLISATION OF TERPENES AND CYCLASE MUTANTS WHICH CAN BE USED IN SAID METHOD BASF SE (DE) 2019-05-22 — — EP disclosed
US-20190119665-A1 METHOD FOR THE BIOCATALYTIC CYCLIZATION OF TERPENES AND CYCLASE MUTANTS EMPLOYABLE THEREIN BASF SE (DE) 2019-04-25 — — US disclosed
US-20180037530-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS BASF SE (DE) 2018-02-08 — — US disclosed
US-20180037530-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS BASF SE (DE) 2018-02-08 — — US disclosed
US-9856199-B2 Method for producing menthones from isopulegol in the gas phase BASF SE (DE) 2018-01-02 — — US disclosed
US-9790157-B2 Ruthenium-phenol catalysts and method of preparing menthone from isopulegol BASF SE (REITSTÖTTER, KINZEBACH & PARTNER) (DE) 2017-10-17 — — US disclosed
US-9790157-B2 Ruthenium-phenol catalysts and method of preparing menthone from isopulegol BASF SE (REITSTÖTTER, KINZEBACH & PARTNER) (DE) 2017-10-17 — — US disclosed
EP-2892869-B1 METHOD FOR THE PREPARATION OF MENTHONE FROM ISOPULEGOL BASF SE (DE) 2017-05-10 — — EP disclosed
US-8932839-B2 Method for the biocatalytic cyclization of terpenes and cyclase mutants employable therein BASF SE (DE) 2015-01-13 — — US disclosed
US-8932839-B2 Method for the biocatalytic cyclization of terpenes and cyclase mutants employable therein BASF SE (DE) 2015-01-13 — — US disclosed
US-20140323585-A1 MICROBIAL COMPOSITION DOW GLOBAL TECHNOLOGY LLC 2014-10-30 — — US disclosed
US-20140073817-A1 METHOD FOR PREPARING MENTHONE FROM ISOPULEGOL BASF SE (DE) 2014-03-13 — — US disclosed
US-20140073817-A1 METHOD FOR PREPARING MENTHONE FROM ISOPULEGOL BASF SE (DE) 2014-03-13 — — US disclosed
WO-2014037264-A1 METHOD FOR PRODUCING MENTHONE FROM ISOPULEGOL BASF SE (DE) 2014-03-13 — — WO disclosed
EP-2706054-A1 Method for the preparation of menthone from isopulegol BASF SE (DE) 2014-03-12 — — EP disclosed
US-20120237991-A1 Method for the biocatalytic cyclization of terpenes and cyclase mutants employable therein BASF SE (DE) 2012-09-20 — — US disclosed
US-20120237991-A1 Method for the biocatalytic cyclization of terpenes and cyclase mutants employable therein BASF SE (DE) 2012-09-20 — — US disclosed
WO-2012066059-A2 METHOD FOR THE BIOCATALYTIC CYCLISATION OF TERPENES AND CYCLASE MUTANTS WHICH CAN BE USED IN SAID METHOD BASF SE (DE) 2012-05-24 — — 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 (4 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-20180037530-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS HPD, ICMT, MDH2 TRPA1 1185/4885TRPM8 1287/4885CA1 3062/4885
US-20140073817-A1 METHOD FOR PREPARING MENTHONE FROM ISOPULEGOL MSMO1, SQLE, MDH2 TRPA1 2524/4885TRPM8 1215/4885CA1 2645/4885
US-10421703-B2 Ruthenium-phenol catalysts for transfer hydrogenation reactions HPD, ICMT, MDH2 TRPA1 1185/4885TRPM8 1287/4885CA1 3062/4885
US-20140323585-A1 MICROBIAL COMPOSITION CD14, DRD3, JUND TRPA1 1090/4885TRPM8 940/4885CA1 4526/4885

“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.

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