SCHEMBL16488563

SCHEMBL16488563

O=COc1cc(C(=O)O)cc(-c2ccc(-c3ccc(-c4cc(OC=O)cc(C(=O)O)c4)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.50
DHODH Q02127 3/20 0.50
AURKA O14965 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
RXRB P28702 4/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ERN1 O75460 2/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYCS P99999 1/20 0.40
FABP1 P07148 1/20 0.40

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
SCHEMBL16488560 1.00 RXRA (0.50) RXRADHODHAURKATPX2RXRB
SCHEMBL15119805 0.97 RXRA (0.56) RXRADHODHRXRBERN1TRIM24
SCHEMBL16488564 0.94 DHODH (0.42) RXRADHODHAURKATPX2LMNA
SCHEMBL14680854 0.91 RXRA (0.54) RXRADHODHAURKATPX2RXRB
SCHEMBL25551247 0.91 RXRA (0.46) RXRADHODHAURKATPX2LMNA
SCHEMBL16559878 0.89 CTRC (0.43) RXRADHODHAURKATPX2ERN1
SCHEMBL16559873 0.89 HSD17B1 (0.42) RXRADHODHAURKATPX2RXRB
SCHEMBL12349931 0.87 CA12 (0.42) LMNA
SCHEMBL15119807 0.86 RXRA (0.51) RXRADHODHAURKATPX2RXRB
SCHEMBL14680895 0.85 RXRA (0.46) RXRADHODHRXRBFABP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593132-B2 Metal-organic frameworks (MOF) for gas capture THE UNIVERSITY OF NOTTINGHAM (GB) 2017-03-14 US disclosed
US-20150047505-A1 METAL-ORGANIC FRAMEWORKS (MOF) FOR GAS CAPTURE THE UNIVERSITY OF NOTTINGHAM (GB) 2015-02-19 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-20150047505-A1 METAL-ORGANIC FRAMEWORKS (MOF) FOR GAS CAPTURE HAO2, TRPM6, FTH1 RXRA 2096/4885DHODH 641/4885AURKA 649/4885

“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.