SCHEMBL2928667

SCHEMBL2928667

CCCCCOc1ccc(C(=O)N2CCOCC2)cc1OCc1cccc(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.69
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 3/20 0.55
MRGPRX4 Q96LA9 3/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
ALOX15 P16050 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL2930580 0.89 HSD17B10 (0.60) HSD17B10NPC1RAB9ASMN1; SMN2TP53
SCHEMBL11116524 0.82 HSD17B10 (0.89) HSD17B10NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8085160 0.82 HPGD (0.62) HSD17B10SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL27716110 0.79 MRGPRX4 (0.54) HSD17B10NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2932851 0.78 MRGPRX4 (0.56) NPC1RAB9ASMN1; SMN2MRGPRX4LMNA
SCHEMBL2927457 0.77 MRGPRX4 (0.68) RAB9ASMN1; SMN2TP53MRGPRX4
SCHEMBL1647854 0.75 HSD17B10 (0.72) HSD17B10NPC1RAB9ASMN1; SMN2TP53
SCHEMBL14288610 0.74 RAB9A (0.70) HSD17B10NPC1RAB9ASMN1; SMN2TP53
SCHEMBL7336764 0.74 ALDH1A1 (0.67) TP53ALDH1A1HPGDPOLB
SCHEMBL19549596 0.74 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2NPSR1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653134-B2 Hydroxyphenol derivatives, processes for the preparation thereof, pharmaceutical compositions them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2014-02-18 US disclosed
EP-1836150-B1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
US-20080161308-A1 e.g. 4-[6-(2-cyclohexylethoxy)-3-oxoindan-5-yloxy]butanoic acid; peroxisome proliferator-activated receptor (PPAR) gamma agonist; antiinflammatory, antidiabetic agent; dyslipidaemia, atherosclerosis, insulin resistance MERCK PATENT GMBH (DE) 2008-07-03 US disclosed
CN-101098846-A Hydroxyphenol derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2008-01-02 CN disclosed
EP-1836150-A1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF Merck Patent GmbH (DE) 2007-09-26 EP disclosed
WO-2006074798-A1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2006-07-20 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 (1 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-20080161308-A1 e.g. 4-[6-(2-cyclohexylethoxy)-3-oxoindan-5-yloxy]butanoic acid; peroxisome proliferator-activated receptor (PPAR) gamma agonist; antiinflammatory, antidiabetic agent; dyslipidaemia, atherosclerosis, insulin resistance PPARG, PPARA, PPARD HSD17B10 380/4885NPC1 1307/4885RAB9A 2973/4885

“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.