SCHEMBL21098985

SCHEMBL21098985

COc1cc(OC)cc(C(=O)OCc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
MAPT P10636 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL21099008 0.88 NPC1 (0.45) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL20679874 0.84 NPC1 (0.55) NPC1RAB9ANR4A2NR4A1NR4A3
SCHEMBL10392942 0.83 KMT2A (0.65) NPC1RAB9ANR4A2NR4A1NR4A3
SCHEMBL28209670 0.82 KMT2A (0.64) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL13625842 0.81 PRKCA (0.59) NPC1RAB9ANR4A2NR4A1NR4A3
SCHEMBL6669799 0.81 TDP1 (0.60) NPC1RAB9ANR4A2NR4A1NR4A3
SCHEMBL11002185 0.79 KMT2A (0.74) NPC1RAB9ANR4A2KMT2AMEN1
SCHEMBL31715823 0.79 TDP1 (0.69) NPC1RAB9ANR4A2NR4A1NR4A3
SCHEMBL9509148 0.78 NR4A2 (0.74) NPC1RAB9ANR4A2NR4A1NR4A3
SCHEMBL8839073 0.78 RXRA (0.68) NPC1RAB9ANR4A2NR4A1NR4A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323121-B2 Poly-β-peptides from functionalized β-lactam monomers and antibacterial compositions containing same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 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-10323121-B2 Poly-β-peptides from functionalized β-lactam monomers and antibacterial compositions containing same TMSB10, TMSB4X, PTMA NPC1 4188/4885RAB9A 2680/4885NR4A2 4079/4885

“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.