SCHEMBL3596153

SCHEMBL3596153

CC(/C=C/C1=CC(C)(C)COc2ccc(-c3ccc(C(F)(F)F)cc3)cc21)=C\C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.39
RARB P10826 6/20 0.39
RARG P13631 6/20 0.39
RARA P10276 5/20 0.39
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
BACE1 P56817 1/20 0.34
HDAC2 Q92769 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
RXRG P48443 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
RXRB P28702 1/20 0.32
P2RY14 Q15391 1/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3596156 1.00 RXRA (0.39) RXRARARBRARGRARANR4A1
SCHEMBL3604486 0.92 RXRA (0.41) RXRARARBRARGRARANR4A1
SCHEMBL3604482 0.92 RXRA (0.41) RXRARARBRARGRARANR4A1
SCHEMBL3606345 0.89 RXRA (0.41) RXRARARBRARGRARAHDAC2
SCHEMBL3599366 0.89 RXRA (0.41) RXRARARBRARGRARAHDAC2
SCHEMBL3607030 0.88 KDM4E (0.33) BACE1MAPTKDM4EP2RY14POLB
SCHEMBL3607025 0.88 KDM4E (0.33) BACE1MAPTKDM4EP2RY14POLB
SCHEMBL3600984 0.86 RXRA (0.39) RXRARARBRARGRARABACE1
SCHEMBL3600980 0.86 RXRA (0.39) RXRARARBRARGRARABACE1
SCHEMBL3597027 0.83 RXRA (0.43) RXRARARBRARGRARAALDH1A1

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 4 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
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 RXRA 61/4885RARB 354/4885RARG 405/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 RXRA 61/4885RARB 354/4885RARG 405/4885

“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.