SCHEMBL503475

SCHEMBL503475

Cc1ccc(COc2ccc(-n3c(CC(=O)O)c(C(=O)O)c4cc(Oc5ccc(OC(C)C)cc5)ccc43)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
FFAR1 O14842 2/20 0.42
PTGES O14684 1/20 0.39
MDM2 Q00987 1/20 0.39
ANO1 Q5XXA6 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PIK3CG P48736 1/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.37
CMKLR1 Q99788 1/20 0.37
PLA2G4A P47712 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL503871 0.93 MEN1 (0.48) KMT2AMEN1MAPTFFAR1PTGES
SCHEMBL503499 0.93 MDM2 (0.45) KMT2AMEN1MAPTFFAR1MDM2
SCHEMBL503625 0.92 USP14 (0.44) KMT2AMEN1MAPTFFAR1PTGES
SCHEMBL504142 0.90 MEN1 (0.44) KMT2AMEN1MAPTFFAR1PTGES
SCHEMBL503612 0.88 NPC1 (0.41) KMT2AMEN1PTGESMDM2MCL1
SCHEMBL503554 0.88 MEN1 (0.45) KMT2AMEN1FFAR1PTGESMDM2
SCHEMBL333231 0.86 MEN1 (0.48) KMT2AMEN1MAPTPTGESKDM4E
SCHEMBL503848 0.85 MAPT (0.45) KMT2AMEN1MAPTFFAR1MDM2
SCHEMBL503872 0.85 USP14 (0.48) KMT2AMEN1MAPTPTGESKDM4E
SCHEMBL334235 0.85 BCL2 (0.42) KMT2AMEN1MAPTPTGESMDM2

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 4 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
WO-2010076566-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R KMT2A 1783/4885MEN1 2934/4885MAPT 3986/4885

“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.