SCHEMBL4940887

SCHEMBL4940887

CCOC(=O)C(C(=O)OCC)C(=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.39
ALDH1A1 P00352 5/20 0.39
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 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
SCHEMBL942071 0.92 ALDH1A1 (0.46) L3MBTL1GAAALDH1A1
SCHEMBL1085238 0.90 ALDH1A1 (0.38) SOAT1L3MBTL1GAAALDH1A1PPM1B
SCHEMBL2001451 0.88 ALDH1A1 (0.46) L3MBTL1GAAALDH1A1
SCHEMBL4481930 0.88 TP53 (0.37) L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL1645785 0.85 ALDH1A1 (0.41) L3MBTL1ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL3645142 0.85 ALDH1A1 (0.41) L3MBTL1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL22658080 0.83 ALDH1A1 (0.42) L3MBTL1GAAALDH1A1LMNAHSD17B10
SCHEMBL13679335 0.81 L3MBTL1 (0.40) SOAT1L3MBTL1GAAALDH1A1PPM1B
SCHEMBL23295632 0.79 L3MBTL1 (0.39) SOAT1L3MBTL1GAAALDH1A1PPM1B
SCHEMBL3833546 0.79 L3MBTL1 (0.39) SOAT1L3MBTL1GAAALDH1A1PPM1B

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
CN-101967123-A 2-cyclopropyl-4-(N-methyl substituted anilino) quinoline compound as well as intermediate, preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2011-02-09 CN disclosed
CN-101955477-A 2-cyclopropyl-4-substituted thiophenyl quinoline compounds as well as intermediate, preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2011-01-26 CN disclosed
US-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
US-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
US-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
EP-1751151-A1 PYRAZOLO '3,4-B! PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE TYPE 4 (PDE4) INHIBITORS GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
WO-2005090348-A1 PYRAZOLO ’3,4-B! PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE TYPE 4 (PDE4) INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 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-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors PDE4A, PDE4B, PDE3B SOAT1 2113/4885L3MBTL1 4506/4885GAA 3666/4885

“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.