SCHEMBL3602737

SCHEMBL3602737

CC(/C=C/C1=CC(C)(C)COc2ccc(OC(F)(F)F)cc21)=C\C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.39
RARB P10826 5/20 0.39
RARG P13631 5/20 0.39
RARA P10276 3/20 0.39
TGM2 P21980 1/20 0.36
ALDH1A1 P00352 4/20 0.34
POLB P06746 3/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
MAOB P27338 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PIM1 P11309 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RXRG P48443 5/20 0.32
RXRB P28702 3/20 0.32
IP6K1 Q92551 1/20 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
SCHEMBL3602741 1.00 RXRA (0.39) RXRARARBRARGRARATGM2
SCHEMBL2314166 0.89 TGM2 (0.39) TGM2ALDH1A1POLBPTGS1PTGS2
SCHEMBL2314163 0.89 TGM2 (0.39) TGM2ALDH1A1POLBPTGS1PTGS2
SCHEMBL3606435 0.88 KDM4E (0.34) TGM2ALDH1A1POLBGAAMAOB
SCHEMBL3606430 0.88 KDM4E (0.34) TGM2ALDH1A1POLBGAAMAOB
Oxeglitazar SCHEMBL1547425 0.88 RXRA (0.41) RXRARARBRARGRARAALDH1A1
Oxeglitazar SCHEMBL1547427 0.88 RXRA (0.41) RXRARARBRARGRARAALDH1A1
Oxeglitazar SCHEMBL3605899 0.88 RXRA (0.41) RXRARARBRARGRARAALDH1A1
SCHEMBL3604855 0.85 RXRA (0.40) RXRARARBRARGRARAALDH1A1
SCHEMBL3604858 0.85 RXRA (0.40) RXRARARBRARGRARAALDH1A1

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 6 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

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.