SCHEMBL4870545

SCHEMBL4870545

CC1(C)CCC(CNOCc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HRAS P01112 1/20 0.38
FKBP1A P62942 2/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4866936 0.87 NPC1 (0.44) NPC1RAB9AEPHX2ALDH1A1HRAS
SCHEMBL4866845 0.86 NPC1 (0.43) NPC1RAB9AEPHX2ALDH1A1HRAS
SCHEMBL4532055 0.86 NPC1 (0.43) NPC1RAB9AEPHX2ALDH1A1HRAS
SCHEMBL4864488 0.84 EPHX2 (0.40) NPC1RAB9AEPHX2ALDH1A1HRAS
SCHEMBL4864498 0.84 EPHX2 (0.40) NPC1RAB9AEPHX2ALDH1A1HRAS
SCHEMBL4867430 0.82 LMNA (0.50) NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL4870442 0.82 EPHX2 (0.39) NPC1RAB9AEPHX2ALDH1A1HRAS
SCHEMBL4870434 0.82 EPHX2 (0.39) NPC1RAB9AEPHX2ALDH1A1HRAS
SCHEMBL4866087 0.78 EPHX2 (0.45) NPC1RAB9AEPHX2ALDH1A1HRAS
SCHEMBL6237661 0.78 EPHX2 (0.45) NPC1RAB9AEPHX2ALDH1A1HRAS

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-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 NPC1 1328/4885RAB9A 2101/4885EPHX2 3740/4885

“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.