SCHEMBL3603647

SCHEMBL3603647

CC(C=CC1=CC(C)(C)COc2ccc(C(C)C)cc21)=CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.41
RXRA P19793 4/20 0.41
RARG P13631 4/20 0.41
RARA P10276 3/20 0.41
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3603642 1.00 RARB (0.41) RARBRXRARARGRARAALDH1A1
SCHEMBL2315828 0.88 TRPV1 (0.35) KDM4EPKMHSD17B10MEN1KMT2A
SCHEMBL2315830 0.88 TRPV1 (0.35) KDM4EPKMHSD17B10MEN1KMT2A
SCHEMBL3599874 0.86 MAPT (0.36) RARBRXRARARGRARAALDH1A1
SCHEMBL3599878 0.86 MAPT (0.36) RARBRXRARARGRARAALDH1A1
SCHEMBL3607937 0.86 RXRA (0.43) RARBRXRARARGRARAALDH1A1
SCHEMBL13316645 0.86 RXRA (0.43) RARBRXRARARGRARAALDH1A1
SCHEMBL3607935 0.86 RXRA (0.43) RARBRXRARARGRARAALDH1A1
SCHEMBL3611715 0.85 RXRA (0.43) RARBRXRARARGRARAALDH1A1
SCHEMBL3597027 0.85 RXRA (0.43) RARBRXRARARGRARAALDH1A1

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 RARB 354/4885RXRA 61/4885RARG 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.