SCHEMBL4868091

SCHEMBL4868091

CCCCC1CC(C(=N)OCc2ccccc2)(C(=O)OC)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 1/20 0.38
CASP1 P29466 1/20 0.38
ADAM17 P78536 2/20 0.37
CETP P11597 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6237054 0.90 ALDH1A1 (0.43) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL4869754 0.81 CYP3A4 (0.42) CYP3A4ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL6235063 0.80 CTSL (0.46) ALDH1A1
SCHEMBL6234929 0.80 CTSL (0.46) ALDH1A1
SCHEMBL4867930 0.80 ALDH1A1 (0.40) CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL6236539 0.80 ALDH1A1 (0.40) CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL6231440 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1L3MBTL1KMT2A
SCHEMBL4864647 0.77 GAA (0.43) CYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL6236356 0.77 GAA (0.43) CYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL4867759 0.77 ALDH1A1 (0.44) CYP3A4ALDH1A1TSHRMAPK1TDP1

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 CYP3A4 4649/4885ALDH1A1 4302/4885TSHR 3168/4885

“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.