SCHEMBL3606345

SCHEMBL3606345

CC(C=CC1=CC(C)(C)COc2ccc(-c3ccccc3)cc21)=CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.41
RARB P10826 7/20 0.41
RARG P13631 7/20 0.41
RARA P10276 5/20 0.41
RXRG P48443 6/20 0.39
RXRB P28702 4/20 0.39
HTR2B P41595 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR7 P34969 1/20 0.36
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
HTR1A P08908 1/20 0.34
PGR P06401 1/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL3599366 1.00 RXRA (0.41) RXRARARBRARGRARARXRG
SCHEMBL3600980 0.90 RXRA (0.39) RXRARARBRARGRARARXRG
SCHEMBL3600984 0.90 RXRA (0.39) RXRARARBRARGRARARXRG
SCHEMBL3596153 0.89 RXRA (0.39) RXRARARBRARGRARARXRG
SCHEMBL3596156 0.89 RXRA (0.39) RXRARARBRARGRARARXRG
SCHEMBL2314407 0.89 HTR2B (0.38) RXRARARBRARGRARAHTR2B
SCHEMBL2314399 0.89 HTR2B (0.38) RXRARARBRARGRARAHTR2B
SCHEMBL3603051 0.88 KDM4E (0.39) RXRARARBRARGRARARXRG
SCHEMBL4948190 0.87 RXRA (0.42) RXRARARBRARGRARARXRG
SCHEMBL3611755 0.87 RXRA (0.42) RXRARARBRARGRARARXRG

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 61/4885RARB 354/4885RARG 405/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 RXRA 61/4885RARB 354/4885RARG 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.