SCHEMBL445092

SCHEMBL445092

CCOC(=O)C(CC)C(=O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
MMP8 P22894 2/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL17134667 0.83 GAA (0.56) MMP8GAAMGAMSIMGAM2
SCHEMBL7347653 0.82 EGLN1 (0.37) EGLN1MMP8GAAMGAMSI
Malonic Acid SCHEMBL28187205 0.82 ALDH1A1 (0.39) EGLN1MMP8GAAMGAMSI
SCHEMBL3142804 0.80 SOAT1 (0.44) EGLN1MMP8GAAMGAMSI
SCHEMBL7684983 0.80 LDHA (0.40) TDP1ALDH1A1KMT2AMEN1
SCHEMBL663775 0.80 ALDH1A1 (0.46) MMP8GAAMGAMSIMGAM2
SCHEMBL230068 0.79 ALDH1A1 (0.50) MMP8GAAMGAMSIMGAM2
Malonic Acid SCHEMBL28179527 0.78 EGLN1 (0.37) EGLN1MMP8GAATDP1ALDH1A1
Dimethylamine SCHEMBL15710606 0.78 GAA (0.46) MMP8GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL9430104 0.78 ALDH1A1 (0.43) MMP8GAAMGAMSIMGAM2

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
JP-56015279-A None JP disclosed
US-8834643-B2 Method and composition for cleaning objects BUBBLES AND BEYOND GMBH (DE) 2014-09-16 US disclosed
WO-2013113319-A1 PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE, INTERMEDIATE OR HYDRATES THEREOF PHARMATHEN S.A. (GR) 2013-08-08 WO disclosed
US-20120085371-A1 METHOD AND COMPOSITION FOR CLEANING OBJECTS BUBBLES AND BEYOND GMBH (DE) 2012-04-12 US disclosed
CN-102387787-A External preparation BUBBLES AND BEYOND GMBH 2012-03-21 CN disclosed
US-20120064011-A1 PREPARATION FOR EXTERNAL APPLICATION BUBBLES AND BEYOND GMBH (DE) 2012-03-15 US disclosed
US-7964640-B2 Oligomers of straight-chain and unbranched fatty acids and drugs containing these PLT PATENT & LICENSE TRADING LTD. (GB) 2011-06-21 US disclosed
US-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 US disclosed
EP-1397142-A4 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL MYERS SQUIBB CO (US) 2004-11-03 EP disclosed
EP-1397142-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 Bristol-Myers Squibb Company (US) 2004-03-17 EP disclosed
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 US disclosed
WO-2002102313-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-27 WO disclosed
US-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US disclosed
JP-S5615279-A NOVEL, LACTONE OF OCTANOIC ACIDS SHIONO KORYO KK 1981-02-14 JP 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-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 PDE7A, PDE7B, PDE3A EGLN1 1934/4885MMP8 794/4885GAA 366/4885

“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.