SCHEMBL6846565

SCHEMBL6846565

C[C@H]1CCCC(C)(C)[C@@H]1CCO

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 6/20 0.46
MAPT P10636 1/20 0.33
CETP P11597 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
SCHEMBL7939563 0.89 UGT2B7 (0.49) UGT2B7CETP
SCHEMBL7940649 0.89 UGT2B7 (0.49) UGT2B7CETP
Propanol SCHEMBL1942397 0.87 UGT2B7 (0.36) UGT2B7CETP
SCHEMBL4666688 0.83 UGT2B7 (0.47) UGT2B7CETP
SCHEMBL14993455 0.83 UGT2B7 (0.47) UGT2B7CETP
SCHEMBL14142960 0.83 UGT2B7 (0.47) UGT2B7CETP
SCHEMBL3661078 0.81 PTPN1 (0.37) UGT2B7
Propanol SCHEMBL27200262 0.81 UGT2B7 (0.34) UGT2B7
SCHEMBL3661700 0.78 CYP1A2 (0.38) UGT2B7
SCHEMBL10426293 0.78 UGT2B7 (0.32) UGT2B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770618-B2 ORGANOLEPTIC; PLANT EXTRACTS; MIXTURES TAKASAGO INTERNATIONAL CORP. (JP) 2004-08-03 US disclosed
US-20020042356-A1 (1S,6R)-2,2,6-Trimethylcyclohexyl methyl ketone and/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same TAKASAGO INTERNATIONAL CORP. (JP) 2002-04-11 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 (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-20020042356-A1 (1S,6R)-2,2,6-Trimethylcyclohexyl methyl ketone and/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same MINK1, TEKT1, TMT1A UGT2B7 3014/4885MAPT 137/4885CETP 401/4885

“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.