SCHEMBL6849876

SCHEMBL6849876

O=C(O)CCC(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
NOTUM Q6P988 1/20 0.38
PTGER1 P34995 3/20 0.37
PTGER4 P35408 3/20 0.37
PTGER3 P43115 3/20 0.37
PTGER2 P43116 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SRD5A2 P31213 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL5497721 0.92 PNMT (0.48) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL4059193 0.89 PNMT (0.50) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL5497718 0.89 PNMT (0.53) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL4059189 0.87 PNMT (0.54) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL1830400 0.86 PNMT (0.55) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL4839271 0.85 PNMT (0.51) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL8474155 0.85 PNMT (0.51) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL1830397 0.84 PNMT (0.57) PNMTNPC1RAB9ADRD2DRD4
Benzene SCHEMBL28021305 0.83 PNMT (0.53) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL7565254 0.83 KMT2A (0.40) PNMTNPC1RAB9ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production THOMPSON LORIN A (US) 2003-12-18 US disclosed
US-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-17 US disclosed
EP-1268454-A1 SUCCINOYLAMINO HETEROCYCLES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074796-A1 SUCCINOYLAMINO HETEROCYCLES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-10-11 WO disclosed
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
US-5519134-A ANTIINFLAMMATORY AGENTS ISIS PHARMACEUTICALS, INC. (US) 1996-05-21 US disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 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-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A PNMT 3059/4885NPC1 3513/4885RAB9A 1280/4885
US-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A PNMT 3059/4885NPC1 3513/4885RAB9A 1280/4885

“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.