SCHEMBL3467446

SCHEMBL3467446

COC(=O)CCCOc1cccc(CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.57
NR1H3 Q13133 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
LTA4H P09960 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
PTPN11 Q06124 1/20 0.47
LTB4R Q15722 1/20 0.47
PPARD Q03181 2/20 0.46
POLB P06746 1/20 0.46
FFAR1 O14842 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
SCHEMBL10730356 0.87 PLA2G4B (0.60) PLA2G4BNR1H3CYP4F2CYP4A11PTPN11
SCHEMBL7413008 0.86 SMN1; SMN2 (0.49) LTA4HKDM4EALDH1A1GAAHPGD
SCHEMBL25081990 0.85 PLA2G4B (0.68) PLA2G4BNR1H3CYP4F2CYP4A11KDM4E
SCHEMBL30278815 0.85 PLA2G4B (0.68) PLA2G4BNR1H3CYP4F2CYP4A11KDM4E
SCHEMBL25081989 0.85 PLA2G4B (0.64) PLA2G4BNR1H3CYP4F2CYP4A11PTPN11
SCHEMBL30278807 0.85 PLA2G4B (0.64) PLA2G4BNR1H3CYP4F2CYP4A11PTPN11
SCHEMBL4843336 0.84 LOXL2 (0.50) LTA4HKDM4EALDH1A1GAAHPGD
SCHEMBL8355226 0.84 PLA2G4B (0.57) PLA2G4BALDH1A1GAAPPARDFFAR1
SCHEMBL22326323 0.84 PLA2G4B (0.55) PLA2G4BKDM4EALDH1A1GAAPOLB
SCHEMBL25081988 0.84 PLA2G4B (0.71) PLA2G4BNR1H3CYP4F2CYP4A11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563741-B2 CDK inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-10-22 US disclosed
US-20120165335-A1 CDK INHIBITORS CURIS, INC. 2012-06-28 US disclosed
WO-2010075542-A1 CDK INHIBITORS CURIS, INC. (US) 2010-07-01 WO disclosed
US-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-09 US disclosed
WO-2009036016-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 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-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CDK3, CDKL1, CDKL3 PLA2G4B 3484/4885NR1H3 1666/4885CYP4F2 3883/4885
US-20120165335-A1 CDK INHIBITORS CDK3, CDK6, CDKL1 PLA2G4B 3696/4885NR1H3 2798/4885CYP4F2 4173/4885

“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.