SCHEMBL813842

SCHEMBL813842

CCCC(=O)CCC1C(C)CCCC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 2/20 0.36
CETP P11597 1/20 0.33
PTPN1 P18031 1/20 0.30
CDC25A P30304 1/20 0.30
DUSP3 P51452 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
SCHEMBL10715339 1.00 UGT2B7 (0.36) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL10712409 1.00 UGT2B7 (0.36) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL14850614 1.00 UGT2B7 (0.36) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL813797 0.89 UGT2B7 (0.37) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL1149570 0.82 UGT2B7 (0.38) UGT2B7CETPPTPN1
SCHEMBL2707186 0.82 UGT2B7 (0.51) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL8202623 0.82 UGT2B7 (0.35) UGT2B7CETPCDC25A
SCHEMBL28905336 0.81 UGT2B7 (0.38) UGT2B7CETPPTPN1
SCHEMBL2463622 0.80 UGT2B7 (0.39) UGT2B7CDC25A
SCHEMBL2706966 0.79 ALDH1A1 (0.42) UGT2B7CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067644-B2 Process for conducting an organic reaction in ionic liquids THE PROCTER & GAMBLE COMPANY (US) 2011-11-29 US claimed
US-20110152566-A1 Process for Conducting an Organic Reaction in Ionic Liquids THE PROCTER & GAMBLE COMPANY 2011-06-23 US claimed
US-11965195-B2 Enzyme mediated process GIVAUDAN SA (CH) 2024-04-23 US disclosed
US-20230009254-A1 ENZYME MEDIATED PROCESS GIVAUDAN SA (CH) 2023-01-12 US disclosed
WO-2021110858-A1 ENZYME MEDIATED PROCESS GIVAUDAN SA (CH) 2021-06-10 WO disclosed
EP-2747886-B1 SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH & CIE (CH) 2018-11-14 EP disclosed
EP-2970067-B1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH & CIE (CH) 2017-08-16 EP disclosed
US-9714263-B2 Selective hydrogenation of aldehydes with Ru/bidentate ligands complexes FIRMENICH SA (CH) 2017-07-25 US disclosed
US-20160039853-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2016-02-11 US disclosed
EP-2970067-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES Firmenich SA (CH) 2016-01-20 EP disclosed
US-9090534-B2 Selective hydrogenation of aldehyde with ru/bidentate ligands complexes FIREMENICH SA (CH) 2015-07-28 US disclosed
WO-2008113545-A1 NOVEL PROCESS FOR THE PREPARATION OF TIMBERONE DSM IP ASSETS B.V. (NL) 2008-09-25 WO disclosed
EP-0118809-B1 COMPOSITION ESSENTIALLY CONSISTING OF TRANS-1-(2,6,6-TRIMETHYLCYCLOHEXYL)-HEXAN-3-OL, UTILIZATION OF SAME AND PROCESS FOR ITS PREPARATION; CYCLOALIPHATIC KETONE AND ALCOHOL INTERMEDIATES FIRMENICH SA (CH) 1988-05-11 EP disclosed
US-4711875-A PERFUMES FIRMENICH SA (CH) 1987-12-08 US disclosed
US-4626381-A ORGANOLEPTIC FIRMENICH SA (CH) 1986-12-02 US disclosed
US-4623750-A PERFUMES FIRMENICH SA (CH) 1986-11-18 US disclosed
US-4588849-A Process for the preparation of an isomeric mixture of 1-(2,6,6-trimethylcyclohexyl)-hexan-3-ol FIRMENICH SA (CH) 1986-05-13 US disclosed
EP-0118817-B1 PROCESS FOR THE PREPARATION OF AN ISOMERIC COMPOSITION OF 1-(2,6,6-TRIMETHYLCYCLOHEXYL)-HEXAN-3-OL, USE OF THE OBTAINED COMPOSITION AND INTERMEDIATE CARBINOLS FIRMENICH SA (CH) 1986-04-02 EP disclosed
EP-0118817-A1 Process for the preparation of an isomeric composition of 1-(2,6,6-trimethylcyclohexyl)-hexan-3-ol, use of the obtained composition and intermediate carbinols FIRMENICH SA (CH) 1984-09-19 EP disclosed
EP-0118809-A2 Composition essentially consisting of trans-1-(2,6,6-trimethylcyclohexyl)-hexan-3-ol, utilization of same and process for its preparation; cycloaliphatic ketone and alcohol intermediates FIRMENICH SA (CH) 1984-09-19 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 (4 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-20110152566-A1 Process for Conducting an Organic Reaction in Ionic Liquids ACSL3, ACSL1, MCOLN1 UGT2B7 3861/4885CETP 3528/4885PTPN1 4786/4885
US-20160039853-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, ADH1C UGT2B7 2496/4885CETP 4014/4885PTPN1 4072/4885
US-11965195-B2 Enzyme mediated process HPD, DNPH1, ESD UGT2B7 279/4885CETP 1007/4885PTPN1 3632/4885
US-20230009254-A1 ENZYME MEDIATED PROCESS HPD, DNPH1, ESD UGT2B7 279/4885CETP 1007/4885PTPN1 3632/4885

“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.