SCHEMBL3596034

SCHEMBL3596034

CC(C=CC1=CC(C)(C)COc2ccc(C(=O)c3ccc(Cl)cc3)cc21)=CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.43
RARA P10276 5/20 0.43
RARB P10826 5/20 0.43
RARG P13631 5/20 0.43
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CXCL12 P48061 1/20 0.33
CYP26A1 O43174 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL3596032 1.00 RXRA (0.43) RXRARARARARBRARGALDH1A1
SCHEMBL3607980 0.90 RXRA (0.45) RXRARARARARBRARGALDH1A1
SCHEMBL3607982 0.90 RXRA (0.45) RXRARARARARBRARGALDH1A1
SCHEMBL13316645 0.83 RXRA (0.43) RXRARARARARBRARGALDH1A1
SCHEMBL3607937 0.83 RXRA (0.43) RXRARARARARBRARGALDH1A1
SCHEMBL3607935 0.83 RXRA (0.43) RXRARARARARBRARGALDH1A1
SCHEMBL3611720 0.82 RXRA (0.43) RXRARARARARBRARGALDH1A1
SCHEMBL3611715 0.82 RXRA (0.43) RXRARARARARBRARGALDH1A1
SCHEMBL3597027 0.82 RXRA (0.43) RXRARARARARBRARGALDH1A1
SCHEMBL3597034 0.82 RXRA (0.43) RXRARARARARBRARGALDH1A1

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 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
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 61/4885RARA 189/4885RARB 354/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 RXRA 61/4885RARA 189/4885RARB 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.