SCHEMBL4728479

SCHEMBL4728479

[CH2]CNC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
ACE P12821 10/20 0.49
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
ITGA4 P13612 1/20 0.47
REN P00797 4/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
F2 P00734 1/20 0.46
LTA4H P09960 1/20 0.46
MAPT P10636 1/20 0.46
PEPD P12955 1/20 0.46
ALOX15 P16050 1/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL6407009 0.83 ACE (0.60) THRBALOX12KMT2AACEITGB3
SCHEMBL9728258 0.83 ACE (0.53) THRBALOX12KMT2AACEITGB3
SCHEMBL17285637 0.80 ACE (0.51) THRBALOX12KMT2AACEITGB3
SCHEMBL4902901 0.79 RAB9A (0.56) ACEITGB3ITGB1ITGAVITGA5
SCHEMBL3103071 0.79 ACE (0.60) THRBALOX12KMT2AACEITGB3
SCHEMBL2422749 0.78 ACE (0.48) THRBALOX12KMT2AACEITGB3
SCHEMBL2422744 0.78 ACE (0.48) THRBALOX12KMT2AACEITGB3
SCHEMBL17285592 0.78 ACE (0.48) THRBALOX12KMT2AACEITGB3
SCHEMBL10729796 0.77 THRB (0.53) THRBALOX12KMT2AACEITGB3
SCHEMBL3966373 0.77 ITGB3 (0.54) THRBALOX12KMT2AACEITGB3

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-20080075798-A1 Personal care compositions comprising pear seed extract PROCTER & GAMBLE COMPANY, THE 2008-03-27 US disclosed
WO-2008027533-A2 PERSONAL CARE COMPOSITIONS COMPRISING PEAR SEED EXTRACT THE PROCTER & GAMBLE COMPANY (US) 2008-03-06 WO 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-20080075798-A1 Personal care compositions comprising pear seed extract CUTA, POLR1C, DPM1 THRB 3455/4885ALOX12 1767/4885KMT2A 2303/4885

“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.