SCHEMBL780261

SCHEMBL780261

CCC(CC)COS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.45
PARL Q9H300 1/20 0.41
MAPK1 P28482 1/20 0.38
CCR5 P51681 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
HSD11B1 P28845 1/20 0.37
HTR6 P50406 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
MPI P34949 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL11133553 0.90 TRPA1 (0.42) PSIP1PARLMAPK1CCR5SMN1; SMN2
SCHEMBL8460017 0.87 ALDH1A1 (0.51) PSIP1MAPK1SMN1; SMN2TDP1ALDH1A1
SCHEMBL11361031 0.86 CA12 (0.50) PSIP1PARLSMN1; SMN2TDP1HSD11B1
SCHEMBL16044692 0.85 PSIP1 (0.45) PSIP1PARLCCR5SMN1; SMN2TDP1
SCHEMBL780731 0.84 GAA (0.42) SMN1; SMN2ALDH1A1
SCHEMBL5668420 0.84 PSIP1 (0.44) PSIP1PARLMAPK1CCR5SMN1; SMN2
SCHEMBL28099707 0.82 PSIP1 (0.42) PSIP1PARLCCR5SMN1; SMN2TDP1
SCHEMBL28506829 0.81 ALDH1A1 (0.46) MAPK1SMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL776370 0.81 RAB9A (0.47) PSIP1PARLSMN1; SMN2TDP1HTR6
SCHEMBL16046201 0.81 PSIP1 (0.43) PSIP1PARLMAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297081-B1 1-(2-ETHYL-BUTYL)-CYCLOHEXANECARBOXYLIC ACID ESTER AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY ACTIVE AMIDES HOFFMANN LA ROCHE (CH) 2017-03-08 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
US-20140336403-A1 PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-13 US disclosed
CN-101952236-B New process for the preparation of cyclohexanecarboxylic acid derivatives via the corresponding cyclohexanecarboxamide derivative HOFFMANN LA ROCHE 2014-07-02 CN disclosed
CN-102066311-B 1-(2-ethyl-butyl) -cyclohexanecarboxylic acid ester as an intermediate in the preparation of pharmaceutically active amides HOFFMANN LA ROCHE 2014-07-02 CN disclosed
EP-2274264-B1 NEW PROCESS FOR THE PREPARATION OF CYCLOHEXANECARBOXYLIC ACID DERIVATIVES VIA THE CORRESPONDING CYCLOHEXANECARBOXAMIDE DERIVATIVE HOFFMANN LA ROCHE (CH) 2014-02-12 EP disclosed
CN-101573319-A Process for preparing 1- (2-ethyl-butyl) -cyclohexanecarboxylic acid HOFFMANN LA ROCHE (CH) 2009-11-04 CN disclosed
US-20090253927-A1 PROCESS FOR CYCLOHEXANECARBOXYLIC ACID DERIVATIVES 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
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-20090240080-A1 PROCESS FOR THE PREPARATION OF CETP(1) HOFFMANN URSULA 2009-09-24 US disclosed
EP-2094636-A1 PROCESS FOR PREPARING 1-(2-ETHYL-BUTYL)-CYCLOHEXANECARBOXYLIC ACID F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
US-20080154059-A1 PROCESS FOR THE PREPARATION OF CETP(1) HOFFMANN-LA ROCHE INC. 2008-06-26 US disclosed
WO-2008074677-A1 PROCESS FOR PREPARING 1- (2-ETHYL-BUTYL) -CYCLOHEXANECARBOXYLIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
EP-1935867-A1 Process for preparing 1-(2-ethyl-butyl)-cyclohexanecarboxylic acid F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 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 (7 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 PSIP1 961/4885PARL 4602/4885MAPK1 918/4885
US-20080154059-A1 PROCESS FOR THE PREPARATION OF CETP(1) CETP, CES1, CPA1 PSIP1 743/4885PARL 4026/4885MAPK1 3431/4885
US-20150361034-A1 NEW PROCESS CYP4A11, UGT1A1, CYP11B1 PSIP1 961/4885PARL 4602/4885MAPK1 918/4885
US-20090240080-A1 PROCESS FOR THE PREPARATION OF CETP(1) CETP, CES1, CPA1 PSIP1 743/4885PARL 4026/4885MAPK1 3431/4885
US-20090253927-A1 PROCESS FOR CYCLOHEXANECARBOXYLIC ACID DERIVATIVES CYP2C9, CYP51A1, CYP2B6 PSIP1 3117/4885PARL 4690/4885MAPK1 1308/4885
US-20090253928-A1 PREPARATION FOR A CYCLOHEXANECARBOXYLIC ACID DERIVATIVE AND INTERMEDIATES CYP2A13, CYP1A1, CYP2C19 PSIP1 2885/4885PARL 4634/4885MAPK1 1233/4885
US-20140336403-A1 PROCESS UGT1A1, CYP3A7, CYP2F1 PSIP1 936/4885PARL 4467/4885MAPK1 1141/4885

“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.