SCHEMBL6900183

SCHEMBL6900183

CCOC(=O)[C@H]1CCCC[C@@H]1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 3/20 0.49
PPM1B O75688 1/20 0.44
PTPN1 P18031 1/20 0.44
PPP1CC P36873 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FKBP1A P62942 1/20 0.41

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
SCHEMBL234644 1.00 TP53 (0.53) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL13011542 1.00 TP53 (0.53) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL28405577 1.00 TP53 (0.53) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL1169984 0.98 TP53 (0.52) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL1169988 0.98 TP53 (0.52) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL1170182 0.98 TP53 (0.52) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL594645 0.95 TP53 (0.48) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL594646 0.95 TP53 (0.48) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL594647 0.95 TP53 (0.48) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL6899600 0.95 TP53 (0.48) TP53CYP3A4ALDH1A1PPM1BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171294-A1 Olefin Polymerisation Catalyst Containing a Cycloakane Dicarboxylate as Electron Donor INEOS USA LLC (US) 2014-06-19 US disclosed
US-20140171294-A1 Olefin Polymerisation Catalyst Containing a Cycloakane Dicarboxylate as Electron Donor INEOS USA LLC (US) 2014-06-19 US disclosed
US-8716514-B2 Olefin polymerisation catalyst containing a cycloakane dicarboxylate as electron donor INEOS USA LLC (US) 2014-05-06 US disclosed
US-8716514-B2 Olefin polymerisation catalyst containing a cycloakane dicarboxylate as electron donor INEOS USA LLC (US) 2014-05-06 US disclosed
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011018495-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 WO disclosed
US-20080113860-A1 Solid phase hydrocarbon-insoluble catalyst component; magnesium, titanium, and halogen; aluminum alkyl; internal electron donor; bicyclo structure; propylene polymers BP CORPORATION NORTH AMERICA INC. (US) 2008-05-15 US disclosed
US-20080113860-A1 Solid phase hydrocarbon-insoluble catalyst component; magnesium, titanium, and halogen; aluminum alkyl; internal electron donor; bicyclo structure; propylene polymers BP CORPORATION NORTH AMERICA INC. (US) 2008-05-15 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-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BDNF, PSEN1, CHRNA5 TP53 4739/4885CYP3A4 738/4885ALDH1A1 754/4885

“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.