SCHEMBL3609449

SCHEMBL3609449

COc1ccc2c(c1)OCC(C)(C)C=C2C=CC(C)=CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.39
RARB P10826 7/20 0.39
RARG P13631 7/20 0.39
RARA P10276 5/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
RXRG P48443 8/20 0.36
RXRB P28702 7/20 0.36
CYP19A1 P11511 1/20 0.35
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
GAA P10253 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 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
SCHEMBL3609445 1.00 RXRA (0.39) RXRARARBRARGRARAESR1
Oxeglitazar SCHEMBL3605899 0.92 RXRA (0.41) RXRARARBRARGRARARXRG
Oxeglitazar SCHEMBL1547425 0.92 RXRA (0.41) RXRARARBRARGRARARXRG
Oxeglitazar SCHEMBL29372761 0.92 RXRA (0.41) RXRARARBRARGRARARXRG
Oxeglitazar SCHEMBL1547427 0.92 RXRA (0.41) RXRARARBRARGRARARXRG
SCHEMBL2315833 0.88 ESR1 (0.38) ESR1ESR2CYP19A1ALDH1A1MAPT
SCHEMBL2315836 0.88 ESR1 (0.38) ESR1ESR2CYP19A1ALDH1A1MAPT
SCHEMBL3646386 0.87 MAPT (0.36) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL3646383 0.87 MAPT (0.36) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL3600980 0.86 RXRA (0.39) RXRARARBRARGRARAESR1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.