SCHEMBL3600626

SCHEMBL3600626

CC(C=CC1=CC(C)(C)COc2cc(Cl)c(F)cc21)=CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.37
RARG P13631 5/20 0.37
RARB P10826 4/20 0.37
RARA P10276 3/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 1/20 0.36
AKR1B1 P15121 2/20 0.33
RXRB P28702 6/20 0.33
RXRG P48443 6/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3600621 1.00 RXRA (0.37) RXRARARGRARBRARAALDH1A1
SCHEMBL3605963 0.91 RXRA (0.40) RXRARARGRARBRARAALDH1A1
SCHEMBL3605961 0.91 RXRA (0.40) RXRARARGRARBRARAALDH1A1
SCHEMBL2317446 0.88 NOTUM (0.37) NOTUMAKR1B1
SCHEMBL2317447 0.88 NOTUM (0.37) NOTUMAKR1B1
SCHEMBL3606904 0.84 RARG (0.41) RXRARARGRARBRARAALDH1A1
SCHEMBL3606906 0.84 RARG (0.41) RXRARARGRARBRARAALDH1A1
SCHEMBL3597027 0.83 RXRA (0.43) RXRARARGRARBRARAALDH1A1
SCHEMBL3597034 0.83 RXRA (0.43) RXRARARGRARBRARAALDH1A1
SCHEMBL3607982 0.83 RXRA (0.45) RXRARARGRARBRARAALDH1A1

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 3 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 claimed
US-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia MERCK PATENT GMBH (DE) 2007-05-03 US claimed
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 (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 61/4885RARG 405/4885RARB 354/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 RXRA 61/4885RARG 405/4885RARB 354/4885

“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.