SCHEMBL4238564

SCHEMBL4238564

COC(=O)CC(=O)NC(CC(=O)OC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
TACR3 P29371 1/20 0.51
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
KCNA5 P22460 1/20 0.46
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4246122 0.90 LMNA (0.49) KMT2APOLBMEN1TACR3ALDH1A1
SCHEMBL4242162 0.90 LMNA (0.49) KMT2APOLBMEN1TACR3ALDH1A1
SCHEMBL15170380 0.87 KMT2A (0.53) KMT2APOLBMEN1TACR3ALDH1A1
SCHEMBL15170378 0.87 KMT2A (0.53) KMT2APOLBMEN1TACR3ALDH1A1
SCHEMBL1460374 0.85 KMT2A (0.55) KMT2APOLBMEN1TACR3ALDH1A1
SCHEMBL20993380 0.85 KMT2A (0.52) KMT2APOLBMEN1TACR3ALDH1A1
SCHEMBL16348950 0.85 KMT2A (0.55) KMT2APOLBMEN1TACR3ALDH1A1
SCHEMBL1144523 0.85 KMT2A (0.55) KMT2APOLBMEN1TACR3ALDH1A1
SCHEMBL12175411 0.85 TACR3 (0.47) KMT2APOLBMEN1TACR3ALDH1A1
SCHEMBL7369223 0.84 TACR3 (0.46) KMT2APOLBMEN1TACR3ALDH1A1

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 KMT2A 4780/4885POLB 470/4885MEN1 2345/4885

“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.