SCHEMBL656175

SCHEMBL656175

CC(=O)OCOC(=O)C(COC(C)=O)(C(=O)O)C(CC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 2/20 0.32
PDPK1 O15530 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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 0.91 PDPK1 (0.41) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL658185 0.90 L3MBTL1 (0.39) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657877 0.89 CYP2C9 (0.50) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL658836 0.89 UTS2R (0.39) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657804 0.81 SRD5A2 (0.38) KMT2AL3MBTL1POLBALDH1A1MEN1
SCHEMBL657352 0.79 PDPK1 (0.47) KMT2ACYP2C9CYP2C19PPARGPPARA
SCHEMBL656174 0.76 KMT2A (0.53) KMT2AL3MBTL1POLBCYP2C9CYP2C19
SCHEMBL657976 0.76 PDPK1 (0.49) KMT2AL3MBTL1CYP2C9HPGDPDPK1
SCHEMBL656363 0.75 ALDH1A1 (0.45) L3MBTL1CYP2C19ALDH1A1HPGDHSD17B10
SCHEMBL16284849 0.68 POLB (0.51) KMT2AL3MBTL1POLBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1777/4885L3MBTL1 3302/4885POLB 4008/4885

“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.