SCHEMBL503414

SCHEMBL503414

CC(C)Oc1ccc(Oc2ccc3c(c2)c(C(=O)O)c(CC(=O)O)n3-c2ccc(Oc3ccccc3Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 1/20 0.39
BCL2 P10415 1/20 0.38
MDM2 Q00987 1/20 0.38
MCL1 Q07820 1/20 0.38
PTGDR Q13258 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLA2G4A P47712 1/20 0.37
CXCL8 P10145 1/20 0.36
XIAP P98170 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AGTR1 P30556 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL503872 0.89 USP14 (0.48) USP14KDM4EHIF1APTGDRMEN1
SCHEMBL503558 0.88 MEN1 (0.44) USP14TP53KDM4EMDM2PTGDR
SCHEMBL503756 0.88 USP14 (0.45) USP14KDM4EHIF1ABCL2MDM2
SCHEMBL334235 0.87 BCL2 (0.42) USP14KDM4EBCL2MDM2MCL1
SCHEMBL333497 0.86 USP14 (0.44) USP14KDM4EHIF1ABCL2MDM2
SCHEMBL333231 0.86 MEN1 (0.48) USP14TP53KDM4EHIF1AMEN1
SCHEMBL503499 0.86 MDM2 (0.45) USP14KDM4EBCL2MDM2MCL1
SCHEMBL335371 0.85 USP14 (0.41) USP14TP53KDM4EHIF1ABCL2
SCHEMBL334268 0.84 KDM4E (0.41) USP14TP53KDM4EBCL2MDM2
SCHEMBL334350 0.84 PTGES (0.52) KDM4EMEN1KMT2A

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-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 US disclosed
US-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 US disclosed
US-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R USP14 2929/4885TP53 2801/4885KDM4E 1630/4885

“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.