SCHEMBL4902997

SCHEMBL4902997

CC(C)(C)OC(=O)N[C@H]1C(=O)N(CC(=O)O)c2ccccc2O[C@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.51
MME P08473 5/20 0.51
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 2/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL3344866 1.00 ACE (0.51) ACEMMEALDH1A1L3MBTL1NPC1
SCHEMBL4905957 0.92 TSHR (0.44) ACEMMEALDH1A1L3MBTL1NPC1
SCHEMBL4905986 0.92 TSHR (0.44) ACEMMEALDH1A1L3MBTL1NPC1
SCHEMBL7349910 0.89 ACE (0.63) ACEMMEALDH1A1L3MBTL1NPC1
SCHEMBL8432066 0.89 ACE (0.63) ACEMMEALDH1A1L3MBTL1NPC1
SCHEMBL10710311 0.85 ACE (0.53) ACEMMEALDH1A1L3MBTL1NPC1
SCHEMBL4900062 0.81 MME (0.44) ACEMMEALDH1A1TSHR
SCHEMBL5226142 0.81 KDM1A (0.40) L3MBTL1KDM1AMAOBKMT2A
SCHEMBL8428949 0.80 ACE (0.44) ACEMMEALDH1A1L3MBTL1NPC1
SCHEMBL7876213 0.79 ACE (0.61) ACEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1831187-A1 NOVEL MOLECULAR PROBES AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065218-A1 NOVEL MOLECULAR PROBES ASTRAZENECA AB (SE) 2006-06-22 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-20080311609-A1 Novel Molecular Probes BACE1, BACE2, PSEN1 ACE 1128/4885MME 312/4885ALDH1A1 1417/4885

“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.