SCHEMBL1343145

SCHEMBL1343145

CCOC(=O)C(O)CCC1=CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 9/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 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
SCHEMBL19266744 0.85 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1RAB9ALMNA
SCHEMBL14621112 0.85 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1RAB9ALMNA
SCHEMBL14621091 0.80 CYP1A2 (0.40) SMN1; SMN2KDM4EALDH1A1RAB9ALMNA
SCHEMBL1342487 0.80 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1RAB9ALMNAHPGD
SCHEMBL3988008 0.77 ALDH1A1 (0.51) SMN1; SMN2KDM4EALDH1A1RAB9ALMNA
SCHEMBL1342873 0.75 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1RAB9ALMNA
SCHEMBL16378090 0.75 ALDH1A1 (0.49) SMN1; SMN2KDM4EALDH1A1RAB9ALMNA
SCHEMBL12164343 0.74 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL1343386 0.73 KDM4E (0.51) SMN1; SMN2KDM4EALDH1A1RAB9ALMNA
SCHEMBL20749127 0.73 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1RAB9AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063067-B2 Hexenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2011-11-22 US disclosed
US-7632846-B2 the use thereof for the treatment of dyslipidaemia, atherosclerosis and diabetes, pharmaceutical compositions comprising them, and processes for the preparation of these MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) 2009-12-15 US disclosed
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF ZEILLER JEAN JACQUES 2009-11-19 US disclosed
US-20080194564-A1 Hexenoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
EP-1742902-B1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2007-09-26 EP disclosed
EP-1742902-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GmbH (DE) 2007-01-17 EP disclosed
WO-2005105724-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF MERCK PATENT GMBH (DE) 2005-11-10 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 (2 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-20080194564-A1 Hexenoic Acid Derivatives, Processes for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Applications Thereof GPR119, LIPA, ALOX5 SMN1; SMN2 3678/4885KDM4E 4194/4885ALDH1A1 692/4885
US-20090286776-A1 HEXENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THEREOF GPR119, LIPA, ALOX5 SMN1; SMN2 3678/4885KDM4E 4194/4885ALDH1A1 692/4885

“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.