SCHEMBL13850708

SCHEMBL13850708

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL16276929 0.90 GAA (0.50) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL13850690 0.84 KMT2A (0.56) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL8345429 0.82 GAA (0.54) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL21676430 0.81 GAA (0.58) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL14498329 0.78 MGAM (0.54) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL20757679 0.76 GAA (0.47) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL12928698 0.76 SMN1; SMN2 (0.50) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL11186926 0.75 GAA (0.50) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL29281034 0.75 L3MBTL1 (0.53) GAAMGAMSIMGAM2L3MBTL1
Malonic Acid Diethyl Ester SCHEMBL1331187 0.74 GAA (1.00) GAAMGAMSIMGAM2L3MBTL1

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 GAA 1549/4885MGAM 3988/4885SI 1415/4885

“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.