SCHEMBL4604379

SCHEMBL4604379

CC(C)=CCC[C@H](C)CC(C)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SRC P12931 1/20 0.39
GGPS1 O95749 2/20 0.36
FDPS P14324 2/20 0.36

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
SCHEMBL15457016 1.00 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1616965 1.00 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL726177 0.86 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL15457601 0.86 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL15457017 0.86 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL14515125 0.86 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL28237230 0.86 ALOX15 (0.64) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL4938970 0.81 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL10678400 0.81 ALOX15 (0.53) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL11866290 0.81 ALOX15 (0.39) ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245391-A1 FRAGRANCE COMPOSITIONS WITH CONTROLLABLE ODOR PROFILES TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2025-11-27 WO claimed
WO-2025245391-A1 FRAGRANCE COMPOSITIONS WITH CONTROLLABLE ODOR PROFILES TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2025-11-27 WO 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
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
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-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

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 ALOX15 1692/4885ALDH1A1 1508/4885TSHR 4365/4885
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 ALOX15 689/4885ALDH1A1 128/4885TSHR 3143/4885
US-20030207789-A1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition ETV1, ELP1, TAS1R2 ALOX15 1129/4885ALDH1A1 599/4885TSHR 3478/4885

“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.