Sugi Predict

Sugi Predict / Compounds / SCHEMBL3604855

SCHEMBL3604855

SCHEMBL3604855

CCOc1ccc2c(c1)C(/C=C/C(C)=C/C(=O)O)=CC(C)(C)CO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 10/20 0.40
▸ RARB P10826 6/20 0.40
▸ RARG P13631 6/20 0.40
▸ RARA P10276 5/20 0.40
▸ RXRG P48443 6/20 0.39
▸ RXRB P28702 3/20 0.39
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 5/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GLA P06280 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
SCHEMBL3604858 1.00 RXRA (0.40) RXRARARBRARGRARARXRG
SCHEMBL13316663 0.90 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2GAAMAPT
Oxeglitazar SCHEMBL1547425 0.89 RXRA (0.41) RXRARARBRARGRARARXRG
Oxeglitazar SCHEMBL3605899 0.89 RXRA (0.41) RXRARARBRARGRARARXRG
Oxeglitazar SCHEMBL1547427 0.89 RXRA (0.41) RXRARARBRARGRARARXRG
Oxeglitazar SCHEMBL29372761 0.89 RXRA (0.41) RXRARARBRARGRARARXRG
SCHEMBL3602737 0.85 RXRA (0.39) RXRARARBRARGRARARXRG
SCHEMBL3602741 0.85 RXRA (0.39) RXRARARBRARGRARARXRG
SCHEMBL2314576 0.85 RXRA (0.41) RXRARARBRARGRARARXRG
SCHEMBL3603083 0.85 RXRA (0.41) 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 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.