SCHEMBL4491572

SCHEMBL4491572

Cc1ccc(C(=O)O)cc1-c1ccc2c(c1)CCC(C)(C)C2=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.52
RARA P10276 3/20 0.52
GRIK1 P39086 1/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
RARG P13631 5/20 0.47
RARB P10826 4/20 0.47
MAPK14 Q16539 5/20 0.40
DGAT1 O75907 2/20 0.40
TDP2 O95551 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SRD5A1 P18405 3/20 0.39
SRD5A2 P31213 3/20 0.39

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
SCHEMBL4516470 0.88 RXRA (0.51) RXRARARAGRIK1GRIA1GRIA2
SCHEMBL4507665 0.86 MAPK14 (0.58) MAPK14
SCHEMBL4501828 0.81 MAPK14 (0.64) MAPK14
SCHEMBL27599821 0.80 TDP2 (0.48) RXRARARARARGRARBTDP2
SCHEMBL3058616 0.79 MAPK14 (0.51) MAPK14
SCHEMBL4504889 0.74 MAPK14 (0.60) MAPK14
SCHEMBL4503763 0.73 HRH3 (0.48) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4502525 0.73 MAPK14 (0.53) RARARARGRARBMAPK14DGAT1
SCHEMBL21517841 0.72 GRIA1 (0.64) RXRARARAGRIK1GRIA1GRIA2
SCHEMBL4503416 0.72 MAPK14 (0.55) RXRARARAMAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
EP-1917241-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-05-07 EP disclosed
WO-2007000339-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO 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-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPKAPK3 RXRA 2573/4885RARA 3325/4885GRIK1 672/4885

“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.