SCHEMBL6807907

SCHEMBL6807907

COc1ccc(C(O)CCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.51
PDE4B Q07343 1/20 0.50
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FFAR1 O14842 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LDHA P00338 1/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRM4 Q14833 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9732202 0.92 PDE4B (0.57) AOC3PDE4BGAAHTTNPSR1
SCHEMBL9732195 0.92 PDE4B (0.57) AOC3PDE4BGAAHTTNPSR1
SCHEMBL7832869 0.90 PDE4B (0.55) AOC3PDE4BGAAHTTNPSR1
SCHEMBL8015785 0.89 PDE4B (0.54) AOC3PDE4BGAAHTTNPSR1
SCHEMBL5490631 0.87 PDE4B (0.53) AOC3PDE4BGAAFFAR1ALDH1A1
SCHEMBL2512731 0.85 AOC3 (0.54) AOC3GAAHTTNPSR1RAB9A
SCHEMBL6831514 0.84 AOC3 (0.49) AOC3PDE4BGAAALDH1A1MAPT
SCHEMBL27590253 0.83 PDE4B (0.50) PDE4BGAAHTTNPSR1FFAR1
SCHEMBL4478662 0.82 FFAR1 (0.56) AOC3FFAR1L3MBTL1LDHAKMT2A
SCHEMBL4478666 0.82 FFAR1 (0.56) AOC3FFAR1L3MBTL1LDHAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
US-20040014993-A1 Novel chemo-enzymatic process for the preparation of opticaly enriched beta-benzyl-gamma-butyrolactones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-01-22 US disclosed
US-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 US disclosed
US-6166257-A METAL COMPLEX OF AN OPTICALLY ACTIVE BIS(1-PHOSPHA-2,3-DIPHENYL-4,5-DIMETHYLNORBORNADIENE) RHODIA CHIMIE (FR) 2000-12-26 US 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-20040014993-A1 Novel chemo-enzymatic process for the preparation of opticaly enriched beta-benzyl-gamma-butyrolactones BBOX1, BCHE, AOX1 AOC3 16/4885PDE4B 1621/4885GAA 660/4885

“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.