SCHEMBL6653172

SCHEMBL6653172

C/C=C/C(=O)[C@@H]1[C@@H](C)CCCC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 3/20 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
SCHEMBL6651393 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL5077283 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL5075119 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL6651395 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL11228060 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL6653180 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL4606381 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL11615985 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL11800434 1.00 UGT2B7 (0.33) UGT2B7
SCHEMBL5075118 1.00 UGT2B7 (0.33) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956392-A PERFUME, FLAVORS P.F.W. BEHEER B.V. (NL) 1976-05-11 US claimed
EP-1468978-A1 Process for producing (1S,6R)-2,2,6-trimethylcyclohexyl methyl ketone and/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone Takasago International Corporation (JP) 2004-10-20 EP disclosed
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
EP-1162191-A2 (1S,6R)- And/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same Takasago International Corporation (JP) 2001-12-12 EP disclosed
US-4360032-A Use of hydrogenated derivatives of 2,6,6-trimethyl-cyclohexene derivatives in augmenting or enhancing the aroma or taste of smoking tobacco and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-11-23 US disclosed
US-4324704-A PERFUMES CONTAINING HYDROGENATION PRODUCTS OF DAMASCENONE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-04-13 US disclosed
US-4315953-A Process for augmenting or enhancing the aroma or taste of raspberry flavored foodstuffs using 2,6,6-trimethylcyclohexene derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-02-16 US disclosed
US-4313842-A FOR DETERGENTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-02-02 US disclosed
US-4311754-A FOR FABRIC SOFTENERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-01-19 US disclosed
US-4292447-A Process for hydrogenation of 2,6,6-trimethyl cyclohexene derivatives, products produced thereby and organoleptic uses of said products INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-09-29 US disclosed
US-4109022-A ORGANOLEPTIC; FRUIT-LIKE P.F.W. BEHEER B.V. (NL) 1978-08-22 US disclosed
US-3956392-A PERFUME, FLAVORS P.F.W. BEHEER B.V. (NL) 1976-05-11 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 3014/4885

“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.