SCHEMBL4608224

SCHEMBL4608224

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.34
EPHX1 P07099 1/20 0.33
CYP1A2 P05177 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL814238 1.00 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2CA1CA2
SCHEMBL4605622 1.00 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2CA1CA2
SCHEMBL21441575 1.00 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2CA1CA2
SCHEMBL4606059 1.00 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2CA1CA2
SCHEMBL4605915 1.00 UGT2B7 (0.34) UGT2B7EPHX1CYP1A2CA1CA2
SCHEMBL28166839 0.85 UGT2B7 (0.35) UGT2B7EPHX1CYP1A2CA1CA2
SCHEMBL4152571 0.83 UGT2B7 (0.45) UGT2B7EPHX1CYP1A2CA1CA2
SCHEMBL4147353 0.83 UGT2B7 (0.45) UGT2B7EPHX1CYP1A2CA1CA2
SCHEMBL7169835 0.83 UGT2B7 (0.45) UGT2B7EPHX1CYP1A2CA1CA2
SCHEMBL4152574 0.83 UGT2B7 (0.45) UGT2B7EPHX1CYP1A2CA1CA2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347035-B1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-07-23 EP claimed
US-20030207789-A1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-11-06 US claimed
EP-1347035-A2 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP claimed
CN-103917093-B Opsin binding ligands, compositions, and methods of use 比卡姆药品公司 2017-08-11 CN disclosed
CN-106431988-A Opsin-binding ligands, compositions and methods of use 比卡姆药品公司 2017-02-22 CN disclosed
EP-1347035-B1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-07-23 EP disclosed
EP-1347035-B1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-07-23 EP disclosed
EP-1347036-B1 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-06-25 EP disclosed
EP-1347036-B1 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-06-25 EP disclosed
US-6930083-B2 Isomer composition excellent in chemical resistance containing optically active trans-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance compositions containing the isomer composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-08-16 US disclosed
EP-1162191-B1 (1S,6R)- And/or (1R,6S)-2,2,6-trimethylcyclohexyl methyl ketone, process for producing the same, and perfume composition containing the same TAKASAGO PERFUMERY CO LTD (JP) 2005-06-29 EP disclosed
US-20030207790-A1 Isomer composition excellent in chemical resistance containing optically active trans-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance compositions containing the isomer composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-11-06 US disclosed
US-20030207789-A1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-11-06 US disclosed
EP-1347036-A2 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP disclosed
EP-1347035-A2 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP 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-4136066-A PERFUME P.F.W. BEHEER B.V. (NL) 1979-01-23 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 (3 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 3014/4885EPHX1 197/4885CYP1A2 447/4885
US-20030207790-A1 Isomer composition excellent in chemical resistance containing optically active trans-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance compositions containing the isomer composition TAS1R1, TAS1R2, TAS2R1 UGT2B7 1691/4885EPHX1 1568/4885CYP1A2 282/4885
US-20030207789-A1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition ETV1, ELP1, TAS1R2 UGT2B7 3510/4885EPHX1 1058/4885CYP1A2 851/4885

“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.