SCHEMBL3606904

SCHEMBL3606904

CC(/C=C/C1=CC(C)(C)COc2cc(C)c(C)cc21)=C\C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 9/20 0.41
RARB P10826 8/20 0.41
RARA P10276 7/20 0.41
RXRA P19793 14/20 0.40
RXRG P48443 8/20 0.40
RXRB P28702 8/20 0.40
ALDH1A1 P00352 7/20 0.39
MAPT P10636 7/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS1 P23219 3/20 0.34
RORC P51449 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL3606906 1.00 RARG (0.41) RARGRARBRARARXRARXRG
SCHEMBL3605961 0.87 RXRA (0.40) RARGRARBRARARXRARXRG
SCHEMBL3605963 0.87 RXRA (0.40) RARGRARBRARARXRARXRG
SCHEMBL2317337 0.87 MEN1 (0.31) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2317332 0.87 MEN1 (0.31) ALDH1A1MAPTMEN1KMT2A
SCHEMBL3607935 0.86 RXRA (0.43) RARGRARBRARARXRARXRG
SCHEMBL3607937 0.86 RXRA (0.43) RARGRARBRARARXRARXRG
SCHEMBL3607891 0.86 KDM4E (0.37) ALDH1A1MAPTKDM4EL3MBTL1HSD17B10
SCHEMBL3607886 0.86 KDM4E (0.37) ALDH1A1MAPTKDM4EL3MBTL1HSD17B10
SCHEMBL3598469 0.85 RXRA (0.39) RARGRARBRARARXRARXRG

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 8 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
EP-1686983-B1 USE OF PENTADIENOIC ACID DERIVATES FOR TREATEMENT OF HYPERURICEMIA MERCK PATENT GMBH (DE) 2007-07-11 EP disclosed
US-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia MERCK PATENT GMBH (DE) 2007-05-03 US disclosed
US-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia MERCK PATENT GMBH (DE) 2007-05-03 US disclosed
EP-1535612-B1 Treatment for hyperuricemia MERCK SANTE SAS (FR) 2006-09-13 EP disclosed
US-6596758-B1 Treatment of dislipidaemias, atherosclerosis and diabetes, to pharmaceutical compositions comprising them and to processes allowing the preparation of these compounds. MERCK PATENT GMBH (DE) 2003-07-22 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 RARG 405/4885RARB 354/4885RARA 189/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 RARG 405/4885RARB 354/4885RARA 189/4885

“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.