Sugi Predict

Sugi Predict / Compounds / SCHEMBL23923568

SCHEMBL23923568

SCHEMBL23923568

C=C(C)C(CC=C(C)C)COC(=O)C(C)=CC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GRIK1 P39086 1/20 0.36
▸ GRIK2 Q13002 1/20 0.36

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
SCHEMBL23923567 1.00 TSHR (0.37) TSHRCYP2D6CYP2C19GRIK1GRIK2
SCHEMBL9323887 0.87 TSHR (0.52) TSHRCYP2D6CYP2C19GRIK1GRIK2
SCHEMBL132576 0.83 GRIK1 (0.40) TSHRCYP2D6CYP2C19GRIK1GRIK2
SCHEMBL1302324 0.83 GRIK1 (0.40) TSHRCYP2D6CYP2C19GRIK1GRIK2
Acetic Acid SCHEMBL8154336 0.80 GRIK1 (0.41) TSHRCYP2D6CYP2C19GRIK1GRIK2
SCHEMBL23923660 0.80 GRIK1 (0.38) TSHRCYP2D6CYP2C19GRIK1GRIK2
SCHEMBL9985312 0.80 GRIK1 (0.38) TSHRCYP2D6CYP2C19GRIK1GRIK2
SCHEMBL1697967 0.80 GRIK1 (0.38) TSHRCYP2D6CYP2C19GRIK1GRIK2
SCHEMBL9985313 0.80 GRIK1 (0.38) TSHRCYP2D6CYP2C19GRIK1GRIK2
SCHEMBL23923515 0.79 GRIK1 (0.35) TSHRGRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527079-B Method for preparing 2-isopropenyl-5-methyl-4-hexenoic acid and derivative alcohol and carboxylic ester thereof 信越化学工业株式会社 2023-11-14 — — CN disclosed
EP-3901125-B1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF SHINETSU CHEMICAL CO (JP) 2023-01-18 — — EP disclosed
US-11286227-B2 Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-03-29 — — US disclosed
EP-3901125-A1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 2021-10-27 — — EP disclosed
CN-113527079-A Method for preparing 2-isopropenyl-5-methyl-4-hexenoic acid and derivative alcohol and carboxylic ester thereof 信越化学工业株式会社 2021-10-22 — — CN disclosed
US-20210323902-A1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-10-21 — — 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-20210323902-A1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF IGF1R, HPD, IGF2R TSHR 329/4885CYP2D6 558/4885CYP2C19 664/4885
US-11286227-B2 Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof IGF1R, HPD, IGF2R TSHR 329/4885CYP2D6 558/4885CYP2C19 664/4885

“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.