SCHEMBL5356532

SCHEMBL5356532

CCC(=O)CC1C(C)CCCC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
CDC25A P30304 1/20 0.32
DUSP3 P51452 1/20 0.32
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
UGT2B7 P16662 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
SCHEMBL813797 0.83 UGT2B7 (0.37) PTPN1CDC25ADUSP3UGT2B7
SCHEMBL8050170 0.82 CYP1A2 (0.40) PTPN1CDC25ADUSP3CYP1A2UGT2B7
SCHEMBL8050172 0.82 CYP1A2 (0.40) PTPN1CDC25ADUSP3CYP1A2UGT2B7
SCHEMBL8050175 0.82 CYP1A2 (0.40) PTPN1CDC25ADUSP3CYP1A2UGT2B7
SCHEMBL6767803 0.82 UGT2B7 (0.39) CYP1A2TDP1UGT2B7
SCHEMBL2463622 0.81 UGT2B7 (0.39) CDC25AUGT2B7
Bicarbonate SCHEMBL28583041 0.79 CYP1A2 (0.36) PTPN1CDC25ADUSP3CYP1A2UGT2B7
SCHEMBL20547796 0.77 UGT2B7 (0.31) UGT2B7
SCHEMBL9662439 0.77 TDP1 (0.33) CYP1A2TDP1
SCHEMBL813842 0.76 UGT2B7 (0.36) PTPN1CDC25ADUSP3UGT2B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7182796-B2 Odorant for fuel gas SODA AROMATIC CO., LTD. (JP) 2007-02-27 US claimed
US-20050020479-A1 Odorant for fuel gas SODA AROMATIC CO., LTD. (JP) 2005-01-27 US claimed
EP-1457547-A1 ODORANT FOR FUEL GAS SODA AROMATIC COMPANY, LIMITED (JP) 2004-09-15 EP claimed
US-11814596-B2 Process for cryogenic fluid odorisation ARKEMA FRANCE (FR) 2023-11-14 US disclosed
US-20220220402-A1 PROCESS FOR CRYOGENIC FLUID ODORISATION ARKEMA FRANCE (FR) 2022-07-14 US disclosed
CN-110520509-B Process for odorizing cryogenic fluids 阿科玛法国公司 2022-04-08 CN disclosed
US-20200157446-A1 PROCESS FOR CRYOGENIC FLUID ODORISATION ARKEMA FRANCE (FR) 2020-05-21 US disclosed
EP-3615638-A1 PROCESS FOR CRYOGENIC FLUID ODORISATION Arkema France (FR) 2020-03-04 EP disclosed
CN-110520509-A Process for odorizing cryogenic fluids ARKEMA FRANCE 2019-11-29 CN disclosed
WO-2018197783-A1 PROCESS FOR CRYOGENIC FLUID ODORISATION ARKEMA FRANCE (FR) 2018-11-01 WO disclosed
US-7182796-B2 Odorant for fuel gas SODA AROMATIC CO., LTD. (JP) 2007-02-27 US disclosed
US-20050020479-A1 Odorant for fuel gas SODA AROMATIC CO., LTD. (JP) 2005-01-27 US disclosed
EP-1457547-A1 ODORANT FOR FUEL GAS SODA AROMATIC COMPANY, LIMITED (JP) 2004-09-15 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
CN-1334858-A Process for producing particles of amine reaction product PROCTER & GAMBLE (US) 2002-02-06 CN 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 (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 PTPN1 4373/4885CDC25A 4101/4885DUSP3 4619/4885

“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.