SCHEMBL780900

SCHEMBL780900

CCC(CC)CC1(C#N)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL1045249 0.84 CETP (0.43) CETP
SCHEMBL27992304 0.79 CETP (0.34) CETP
SCHEMBL11373090 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1045250 0.76 CETP (0.30) CETP
SCHEMBL14533547 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL11299703 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL878835 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL841367 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11407435 0.73
SCHEMBL841642 0.73 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015629-A Processes for synthesizing 1-(2-ethylbutyl) cyclohexane carbonitrile ALBEMARLE CORP 2011-04-13 CN claimed
CN-104557356-B The manufacture method of nitrile and its corresponding amine 中国石油化工股份有限公司 2017-10-10 CN disclosed
US-9603816-B2 Process HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9603816-B2 Process HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
EP-2274278-B1 NEW PROCESS FOR THE PREPARATIION OF CYCLOHEXANECARBOXYLIC ACID DERICATIVES HOFFMANN LA ROCHE (CH) 2016-08-17 EP disclosed
EP-2274278-B1 NEW PROCESS FOR THE PREPARATIION OF CYCLOHEXANECARBOXYLIC ACID DERICATIVES HOFFMANN LA ROCHE (CH) 2016-08-17 EP disclosed
US-20160200672-A1 NEW PROCESS HOFFMANN-LA ROCHE INC. 2016-07-14 US disclosed
CN-101981001-B Prepare the new method of naphthenic acid derivant 弗·哈夫曼-拉罗切有限公司 2016-06-08 CN disclosed
US-20150361034-A1 NEW PROCESS HOFFMANN-LA ROCHE INC. 2015-12-17 US disclosed
EP-2616433-B1 PROCESS FOR PREPARING A CYCLOHEXANECARBONITRILE DERIVATIVE HOFFMANN LA ROCHE (CH) 2015-12-09 EP disclosed
EP-2274264-A1 NEW PROCESS FOR THE PREPARATION OF CYCLOHEXANECARBOXYLIC ACID DERIVATIVES VIA THE CORRESPONDING CYCLOHEXANECARBOXAMIDE DERIVATIVE F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
EP-2274278-A1 NEW PROCESS FOR THE PREPARATIION OF CYCLOHEXANECARBOXYLIC ACID DERICATIVES F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7858823-B2 Process for cyclohexanecarboxylic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20090253927-A1 PROCESS FOR CYCLOHEXANECARBOXYLIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-08 US disclosed
WO-2009121788-A1 NEW PROCESS FOR THE PREPARATIION OF CYCLOHEXANECARBOXYLIC ACID DERICATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO disclosed
WO-2009121789-A1 NEW PROCESS FOR THE PREPARATION OF CYCLOHEXANECARBOXYLIC ACID DERIVATIVES VIA THE CORRESPONDING CYCLOHEXANECARBOXAMIDE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO disclosed
US-20090253928-A1 PREPARATION FOR A CYCLOHEXANECARBOXYLIC ACID DERIVATIVE AND INTERMEDIATES HOFFMANN-LA ROCHE, INC. 2009-10-08 US disclosed
US-20090253928-A1 PREPARATION FOR A CYCLOHEXANECARBOXYLIC ACID DERIVATIVE AND INTERMEDIATES HOFFMANN-LA ROCHE, INC. 2009-10-08 US disclosed
US-20090253928-A1 PREPARATION FOR A CYCLOHEXANECARBOXYLIC ACID DERIVATIVE AND INTERMEDIATES HOFFMANN-LA ROCHE, INC. 2009-10-08 US disclosed
WO-2009121788-A1 NEW PROCESS FOR THE PREPARATIION OF CYCLOHEXANECARBOXYLIC ACID DERICATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO 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-20160200672-A1 NEW PROCESS CYP4A11, UGT1A1, CYP11B1 CETP 565/4885ALDH1A1 343/4885
US-20150361034-A1 NEW PROCESS CYP4A11, UGT1A1, CYP11B1 CETP 565/4885ALDH1A1 343/4885
US-20090253927-A1 PROCESS FOR CYCLOHEXANECARBOXYLIC ACID DERIVATIVES CYP2C9, CYP51A1, CYP2B6 CETP 1190/4885ALDH1A1 166/4885
US-20090253928-A1 PREPARATION FOR A CYCLOHEXANECARBOXYLIC ACID DERIVATIVE AND INTERMEDIATES CYP2A13, CYP1A1, CYP2C19 CETP 1060/4885ALDH1A1 114/4885

“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.