SCHEMBL4244153

SCHEMBL4244153

CC(C)CC1NC(=O)C(C(=O)O)=C1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NR0B1 P51843 1/20 0.37
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
PAX8 Q06710 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL9867135 1.00 KDM4E (0.41) KDM4ENR0B1GAAHTTPAX8
SCHEMBL31202904 0.86 KDM4E (0.55) KDM4ENR0B1GAAHTTPAX8
SCHEMBL4242007 0.82 KDM4E (0.38) KDM4ENR0B1GAAHTTMEN1
SCHEMBL4237629 0.75 KMT2A (0.44) KDM4ENR0B1GAAHTTPAX8
SCHEMBL4240492 0.74 HPGD (0.50) GAAHTTMEN1KMT2AALDH1A1
SCHEMBL13743252 0.70 KMT2A (0.46) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL4246713 0.70 NR0B1 (0.64) NR0B1GAACYP3A4CYP2C19
SCHEMBL4246061 0.67 NR0B1 (0.50) NR0B1ALDH1A1
SCHEMBL2867325 0.64 MEN1 (0.41) GAAHTTPAX8MEN1KMT2A
SCHEMBL10007462 0.63 KDM4E (0.53) KDM4ENR0B1ALDH1A1LMNA

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-5061808-A 2-oxo-1-pyrrolidine carboxylic acid esters WARNER-LAMBERT COMPANY (US) 1991-10-29 US disclosed
US-4876343-A Process for statine and statine analogs WARNER-LAMBERT COMPANY (US) 1989-10-24 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 KDM4E 3718/4885NR0B1 2001/4885GAA 632/4885

“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.