SCHEMBL8021501

SCHEMBL8021501

CCC1CCC(C)(C)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.31
CYP19A1 P11511 6/20 0.31
LMNA P02545 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL14169017 0.75 MAPT (0.42) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL8298547 0.73 MAPT (0.39) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL26718424 0.73
SCHEMBL7824924 0.72 MAPT (0.42) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL8675518 0.71 MAPT (0.43) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL959131 0.71 MAPT (0.43) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL13083648 0.71 MAPT (0.43) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL28218026 0.70 MAPT (0.41) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL3536541 0.70 MAPT (0.41) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL5612700 0.69 MAPT (0.70) MAPTALDH1A1POLBKDM4ETSHR

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
US-20210395639-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2021-12-23 US disclosed
EP-3681463-B1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2021-03-03 EP disclosed
WO-2020099372-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2020-05-22 WO disclosed
EP-0974581-A1 PROCESS FOR PREPARING EQUILIBRIUM PEROXY ACID AND PROCESS FOR PRODUCING LACTONE DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2000-01-26 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-20210395639-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL TRPM5, CNR2, DRD5 MAPT 1803/4885ALDH1A1 2046/4885POLB 3058/4885

“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.