SCHEMBL3632209

SCHEMBL3632209

CC1=C(O)[C@H](O)CC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ PTPN1 P18031 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 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
SCHEMBL3158686 1.00 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL3161230 1.00 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL14458060 0.81 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL14458061 0.81 MAPT (0.36) MAPTPTPN1IDO1TDO2
SCHEMBL4293411 0.76 — —
SCHEMBL3659400 0.76 MAPT (0.34) MAPT
SCHEMBL3659823 0.76 MAPT (0.34) MAPT
SCHEMBL5605733 0.75 IDO1 (0.33) MAPTIDO1TDO2
SCHEMBL3162292 0.75 IDO1 (0.33) MAPTIDO1TDO2
SCHEMBL11223105 0.71 MAPT (0.45) MAPTPTPN1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018114733-A1 PROCESS FOR THE PREPARATION OF STEREOISOMERIC PURE C9-ACETALS BASF SE (DE) 2018-06-28 — — WO disclosed
WO-2018114732-A1 PROCESS FOR PREPARING (4S)- OR (4R)-3,4-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENONE BASF SE (DE) 2018-06-28 — — WO disclosed
WO-2018114732-A1 PROCESS FOR PREPARING (4S)- OR (4R)-3,4-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENONE BASF SE (DE) 2018-06-28 — — WO disclosed
US-20100041922-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2010-02-18 — — US disclosed
US-20100041922-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2010-02-18 — — US disclosed
US-20100041922-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2010-02-18 — — US disclosed
EP-2142494-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2010-01-13 — — EP disclosed
WO-2008116714-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2008-10-02 — — WO disclosed
WO-2008116714-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES BASF SE (DE) 2008-10-02 — — 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-20100041922-A1 METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES CYP8B1, CYP51A1, HSD3B1 MAPT 4592/4885PTPN1 4879/4885IDO1 724/4885

“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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