SCHEMBL29664948

SCHEMBL29664948

Cc1ccccc1CCS(=O)(=O)O.Cc1ccccc1COS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
MAOB P27338 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CTBP2 P56545 1/20 0.35
FFAR1 O14842 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
LMNA P02545 2/20 0.33
DAO P14920 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL19974316 0.86 MAOB (0.44) TAAR1MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL3884582 0.86 TAAR1 (0.50) TAAR1GPR84CTBP2ALDH1A1MEN1
SCHEMBL31326844 0.86 TAAR1 (0.50) TAAR1GPR84CTBP2ALDH1A1MEN1
Hydrogen Sulfide SCHEMBL27764015 0.84 MAOB (0.42) TAAR1MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL3589537 0.76 TAAR1 (0.47) TAAR1GPR84CTBP2ALDH1A1MEN1
SCHEMBL5273095 0.75 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6ALDH1A1MEN1
Alcohol SCHEMBL6075483 0.74 TAAR1 (0.42) TAAR1MAOBGPR84CTBP2ALDH1A1
SCHEMBL776265 0.73 MAOB (0.45) TAAR1MAOBTHRATHRBCTBP2
SCHEMBL11497278 0.73 MGLL (0.49) TAAR1GPR84CTBP2ALDH1A1MEN1
SCHEMBL1229717 0.73 KEAP1 (0.42) CYP1A2CYP3A4CYP2D6ALDH1A1MAPT

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-4667473-A2 PROCESS FOR PREPARING 2-EXO-(2-METHYLBENZYLOXY)-1-METHYL-4-ISOPROPYL-7-OXABICYCLO[2.2.1]HEPTANE BASF Agro B.V. (NL) 2025-12-24 EP disclosed
EP-3724193-B1 PROCESS FOR PREPARING 2-EXO-(2-METHYLBENZYLOXY)-1-METHYL-4-ISOPROPYL-7-OXABICYCLO[2.2.1]HEPTANE BASF AGRO BV (NL) 2024-09-11 EP disclosed
US-11897895-B2 Process for preparing 2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicy-clo[2.2.1]heptane BASF Agro B.V. (NL) 2024-02-13 US disclosed
US-11384093-B2 Process for preparing 2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane BASF Agro B.V. (NL) 2022-07-12 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-11897895-B2 Process for preparing 2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicy-clo[2.2.1]heptane EXOC1, EXOC4, EXOC3 TAAR1 2257/4885MAOB 586/4885GPR84 4689/4885
US-11384093-B2 Process for preparing 2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane EXOC1, CYP8B1, EXOC3 TAAR1 2288/4885MAOB 1941/4885GPR84 3812/4885

“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.