SCHEMBL4866262

SCHEMBL4866262

CCCCC1CC(CNOCc2ccccc2)(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
CETP P11597 3/20 0.38
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC3 O15379 1/20 0.34
MAPT P10636 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
SCHEMBL6237661 0.80 EPHX2 (0.45) EPHX2ALDH1A1NPC1RAB9AMAPT
SCHEMBL4866087 0.80 EPHX2 (0.45) EPHX2ALDH1A1NPC1RAB9AMAPT
SCHEMBL4870442 0.78 EPHX2 (0.39) EPHX2ALDH1A1NPC1RAB9A
SCHEMBL4870434 0.78 EPHX2 (0.39) EPHX2ALDH1A1NPC1RAB9A
SCHEMBL4866936 0.75 NPC1 (0.44) EPHX2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL4864498 0.75 EPHX2 (0.40) EPHX2ALDH1A1TSHRNPC1RAB9A
SCHEMBL4864488 0.75 EPHX2 (0.40) EPHX2ALDH1A1TSHRNPC1RAB9A
SCHEMBL4870545 0.75 NPC1 (0.41) EPHX2MAPK1ALDH1A1L3MBTL1NPC1
SCHEMBL4532055 0.74 NPC1 (0.43) EPHX2ALDH1A1NPC1RAB9ACYP2C19
SCHEMBL4866845 0.74 NPC1 (0.43) EPHX2ALDH1A1NPC1RAB9ACYP2C19

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 EPHX2 3740/4885CETP 856/4885CYP3A4 4649/4885

“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.