SCHEMBL13441817

SCHEMBL13441817

COC(=O)COc1ccc(OCCCOc2ccc(C)cc2-c2nc3ccccc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 13/20 0.52
LMNA P02545 4/20 0.52
POLB P06746 2/20 0.52
RXFP1 Q9HBX9 6/20 0.51
THRB P10828 1/20 0.46
PPARD Q03181 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL13441816 0.79 MAPT (0.57) TP53SMN1; SMN2MAPTRXFP1PPARD
SCHEMBL13407819 0.75 PDPK1 (0.47) MAPTLMNAPOLBPPARD
SCHEMBL3579790 0.74 MAPT (0.51) TP53MAPTLMNARXFP1PPARD
SCHEMBL4690917 0.72 CYP1A2 (0.61) SMN1; SMN2MAPT
SCHEMBL28613817 0.71 MAPT (0.70) TP53SMN1; SMN2MAPTLMNAPOLB
SCHEMBL12545647 0.70 MAPT (0.49) TP53SMN1; SMN2MAPTLMNAPOLB
SCHEMBL29217757 0.70 SMN1; SMN2 (0.62) TP53SMN1; SMN2MAPTLMNAPOLB
SCHEMBL2748380 0.70 MAPT (0.51) TP53SMN1; SMN2MAPTLMNAPOLB
SCHEMBL30172424 0.69 MAPT (0.48) TP53SMN1; SMN2MAPTLMNAPOLB
SCHEMBL13224658 0.68 MAPT (0.48) TP53SMN1; SMN2MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2010-04-08 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-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, PPARA TP53 3081/4885SMN1; SMN2 4669/4885MAPT 3021/4885

“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.