SCHEMBL503554

SCHEMBL503554

CC(C)Oc1ccc(Oc2ccc3c(c2)c(C(=O)O)c(CC(=O)O)n3-c2ccc(OCc3cccc(Cl)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
SLC26A4 O43511 1/20 0.45
KMT2A Q03164 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
ALOX5 P09917 1/20 0.43
MAOB P27338 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PTGES O14684 1/20 0.42
FFAR1 O14842 1/20 0.41
ANO1 Q5XXA6 3/20 0.41
MAOA P21397 2/20 0.41
MDM2 Q00987 1/20 0.40
USP14 P54578 1/20 0.40
NR4A2 P43354 1/20 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
SCHEMBL503499 0.93 MDM2 (0.45) MEN1KMT2AFFAR1MDM2USP14
SCHEMBL503625 0.92 USP14 (0.44) MEN1SLC26A4KMT2AMAOBPTGES
SCHEMBL503756 0.91 USP14 (0.45) MEN1KMT2APTGDR2PTGESFFAR1
SCHEMBL333497 0.90 USP14 (0.44) MEN1KMT2APTGDR2PTGESFFAR1
SCHEMBL504142 0.89 MEN1 (0.44) MEN1SLC26A4KMT2AMAOBPTGDR2
SCHEMBL335371 0.89 USP14 (0.41) PTGDR2PTGESFFAR1MDM2USP14
SCHEMBL503475 0.88 KMT2A (0.43) MEN1KMT2APTGESFFAR1ANO1
SCHEMBL503871 0.88 MEN1 (0.48) MEN1KMT2APTGESFFAR1ANO1
SCHEMBL503872 0.87 USP14 (0.48) MEN1KMT2AALOX5PTGDR2PTGES
SCHEMBL503612 0.86 NPC1 (0.41) MEN1SLC26A4KMT2ARXRARXRB

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 MEN1 2934/4885SLC26A4 2206/4885KMT2A 1783/4885

“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.