SCHEMBL3601062

SCHEMBL3601062

CCOC(=O)/C=C(C)/C=C/C1=CC(C)(C)COc2ccc(O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALOX5 P09917 1/20 0.33
TTR P02766 1/20 0.32
DPP4 P27487 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL3601066 1.00 MAPT (0.37) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL3597750 0.89 KDM4E (0.37) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL3597753 0.89 KDM4E (0.37) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL13316663 0.89 KDM4E (0.37) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL13316631 0.89 KDM4E (0.36) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL3599878 0.88 MAPT (0.36) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL3599874 0.88 MAPT (0.36) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL3607891 0.87 KDM4E (0.37) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL3607886 0.87 KDM4E (0.37) MAPTKDM4EKMT2AMEN1ATM
SCHEMBL3603051 0.87 KDM4E (0.39) MAPTKDM4EKMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA BOIZEL ROBERT 2010-06-24 US disclosed
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA BOIZEL ROBERT 2010-06-24 US disclosed
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA BOIZEL ROBERT 2010-06-24 US disclosed
EP-1686983-B1 USE OF PENTADIENOIC ACID DERIVATES FOR TREATEMENT OF HYPERURICEMIA MERCK PATENT GMBH (DE) 2007-07-11 EP disclosed
US-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia MERCK PATENT GMBH (DE) 2007-05-03 US disclosed
US-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia MERCK PATENT GMBH (DE) 2007-05-03 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 (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-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia XDH, URB2, ALOX12 MAPT 3339/4885KDM4E 4711/4885KMT2A 4388/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 MAPT 3339/4885KDM4E 4711/4885KMT2A 4388/4885

“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.