SCHEMBL4241630

SCHEMBL4241630

COC(=O)CC(=O)N(CC(=O)OC)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.45
REN P00797 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL9686760 0.84 PIN1 (0.53) ALDH1A1NPC1RAB9ALMNAL3MBTL1
SCHEMBL3364898 0.81 NPC1 (0.52) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL22144166 0.81 PIN1 (0.50) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL2226376 0.80 SMN1; SMN2 (0.51) ALDH1A1NPC1LMNARENKMT2A
SCHEMBL13484404 0.80 PIN1 (0.49) ALDH1A1NPC1RAB9ALMNAL3MBTL1
SCHEMBL7611509 0.80 NPC1 (0.50) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL14861373 0.79 TDP1 (0.48) ALDH1A1NPC1RAB9ALMNANPSR1
SCHEMBL20902266 0.79 CTSS (0.55) ALDH1A1CTSLCTSBCTSS
Bromide SCHEMBL20547060 0.78 NPC1 (0.49) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL5761072 0.78 KDM4E (0.56) ALDH1A1NPC1RAB9ALMNAKDM4E

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 ALDH1A1 3119/4885NPC1 163/4885RAB9A 2428/4885

“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.