SCHEMBL21048073

SCHEMBL21048073

CC(=O)C1(C)C(C)CCCC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL21065793 0.79 CYP1A2 (0.33) CYP1A2
SCHEMBL21065740 0.76
SCHEMBL23092062 0.74 F10 (0.34) ALDH1A1TDP1
SCHEMBL19853437 0.73 MEN1 (0.36) ALDH1A1
SCHEMBL21065795 0.73
SCHEMBL19471949 0.71 ALOX15 (0.40)
SCHEMBL19471948 0.71 ALOX15 (0.40)
SCHEMBL14248503 0.70 NPC1 (0.38) ALDH1A1
SCHEMBL10723912 0.70 MAPK1 (0.45) ALDH1A1
SCHEMBL19471975 0.69 ALOX15 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494103-B1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2021-10-06 EP claimed
US-20190169108-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF CHEMICALS INDIA PVT. LTD. (IN) 2019-06-06 US claimed
EP-3494103-B1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2021-10-06 EP 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-20190169108-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS TMT1A, CYP19A1, CYP51A1 ALDH1A1 13/4885TDP1 2110/4885CYP1A2 11/4885

“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.