SCHEMBL13850690

SCHEMBL13850690

CCOC(=O)CCC(=O)NC(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
POLB P06746 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 3/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
CYP1A2 P05177 1/20 0.42
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
PARP1 P09874 1/20 0.39
TRPA1 O75762 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA3 P07451 1/20 0.38

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
SCHEMBL13850708 0.84 GAA (0.56) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL24567764 0.83 KMT2A (0.50) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL8236193 0.82 KMT2A (0.53) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL29281034 0.79 L3MBTL1 (0.53) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL18264860 0.77 L3MBTL1 (0.50) KMT2APOLBL3MBTL1GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL22780 0.76 GAA (0.67) POLBL3MBTL1GAAMGAMSI
Succinic Acid Diethyl Ester SCHEMBL27768067 0.76 GAA (0.67) POLBL3MBTL1GAAMGAMSI
SCHEMBL16276929 0.76 GAA (0.50) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL13165866 0.75 GAA (0.54) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL13850710 0.75 CA12 (0.43) KMT2APOLBLMNATDP1HPGD

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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 KMT2A 2139/4885POLB 269/4885L3MBTL1 398/4885

“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.