SCHEMBL780327

SCHEMBL780327

CCC(CC)COS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 4/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCOLN3 Q8TDD5 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL9442565 0.82 L3MBTL1 (0.56) PKML3MBTL1GAATDP1MAPK1
SCHEMBL2880572 0.81 L3MBTL1 (0.55) PKML3MBTL1GAATDP1MAPK1
SCHEMBL780261 0.80 PSIP1 (0.45) TDP1MAPK1LMNAKMT2ASMN1; SMN2
SCHEMBL6115267 0.79 LMNA (0.55) PKML3MBTL1GAATDP1MAPK1
SCHEMBL15000836 0.79 LMNA (0.55) PKML3MBTL1GAATDP1MAPK1
SCHEMBL9488917 0.78 LMNA (0.44) PKML3MBTL1GAATDP1MAPK1
SCHEMBL9488920 0.78 LMNA (0.44) PKML3MBTL1GAATDP1MAPK1
SCHEMBL9488925 0.78 LMNA (0.44) PKML3MBTL1GAATDP1MAPK1
SCHEMBL27619979 0.76 PKM (0.48) PKML3MBTL1GAATDP1MAPK1
SCHEMBL780731 0.76 GAA (0.42) PKMGAASMN1; SMN2ALDH1A1

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 30 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
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
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
US-20130197257-A1 NEW PROCESS HOFFMANN-LA ROCHE INC. (US) 2013-08-01 US disclosed
EP-2616433-A1 NEW PROCESS F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
EP-2094636-B1 PROCESS FOR PREPARING 1-(2-ETHYL-BUTYL)-CYCLOHEXANECARBOXYLIC ACID HOFFMANN LA ROCHE (CH) 2012-10-24 EP disclosed
US-20090312569-A1 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US 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 (9 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 PKM 603/4885L3MBTL1 4883/4885GAA 96/4885
US-20080154059-A1 PROCESS FOR THE PREPARATION OF CETP(1) CETP, CES1, CPA1 PKM 2913/4885L3MBTL1 4478/4885GAA 860/4885
US-20150361034-A1 NEW PROCESS CYP4A11, UGT1A1, CYP11B1 PKM 603/4885L3MBTL1 4883/4885GAA 96/4885
US-20090240080-A1 PROCESS FOR THE PREPARATION OF CETP(1) CETP, CES1, CPA1 PKM 2913/4885L3MBTL1 4478/4885GAA 860/4885
US-20090253927-A1 PROCESS FOR CYCLOHEXANECARBOXYLIC ACID DERIVATIVES CYP2C9, CYP51A1, CYP2B6 PKM 1939/4885L3MBTL1 4882/4885GAA 694/4885
US-20090312569-A1 NOVEL PROCESS CYP3A5, MCCC2, CYP3A4 PKM 1570/4885L3MBTL1 4880/4885GAA 202/4885
US-20130197257-A1 NEW PROCESS CYP4A11, UGT1A1, CYP11B1 PKM 603/4885L3MBTL1 4883/4885GAA 96/4885
US-20090253928-A1 PREPARATION FOR A CYCLOHEXANECARBOXYLIC ACID DERIVATIVE AND INTERMEDIATES CYP2A13, CYP1A1, CYP2C19 PKM 1704/4885L3MBTL1 4883/4885GAA 813/4885
US-20140336403-A1 PROCESS UGT1A1, CYP3A7, CYP2F1 PKM 262/4885L3MBTL1 4879/4885GAA 117/4885

“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.