SCHEMBL3602889

SCHEMBL3602889

CSC1(SC)C=C(/C=C/C(C)=C/C(=O)O)c2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXRA P19793 9/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCC4 O15439 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
RARA P10276 1/20 0.30

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
SCHEMBL3602897 1.00 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3611761 0.76 RXRA (0.42) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL4948190 0.76 RXRA (0.42) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3611755 0.76 RXRA (0.42) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL6859855 0.71 KDM4E (0.42) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3602900 0.69 RXRA (0.40) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3602891 0.69 RXRA (0.40) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3600466 0.69 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3600462 0.69 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3611543 0.67 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPKMHTT

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 1 patent. 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

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-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 ALDH1A1 132/4885MAPT 3339/4885KDM4E 4711/4885

“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.