SCHEMBL657804

SCHEMBL657804

CC(=O)OCOC(=O)C(COC(C)=O)(C(=O)O)C(CC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.38
ERCC5 P28715 2/20 0.38
FEN1 P39748 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MMP1 P03956 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PARP10 Q53GL7 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL658601 0.90 PDPK1 (0.41) L3MBTL1MMP1KMT2AMEN1POLB
SCHEMBL659012 0.88 GLA (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL657352 0.88 PDPK1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL656363 0.85 ALDH1A1 (0.45) L3MBTL1ALDH1A1
SCHEMBL657976 0.82 PDPK1 (0.49) L3MBTL1SMN1; SMN2KMT2A
SCHEMBL656175 0.81 KMT2A (0.47) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL657877 0.80 CYP2C9 (0.50) L3MBTL1ALDH1A1KMT2ANPC1POLB
SCHEMBL658836 0.79 UTS2R (0.39) L3MBTL1ALDH1A1KMT2APOLB
SCHEMBL657803 0.77 PDPK1 (0.47) SRD5A2ERCC5FEN1L3MBTL1MMP1
SCHEMBL7109215 0.72 NPC1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2KMT2AMEN1

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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US claimed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB SRD5A2 4627/4885ERCC5 3532/4885FEN1 3610/4885

“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.