SCHEMBL4871719

SCHEMBL4871719

CCCCC1CC(C(=O)OC)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
TLR4 O00206 1/20 0.39
CYP1A2 P05177 2/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
DNTT P04053 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL10804837 0.87 POLB (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL31128456 0.85 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10394724 0.83 HTT (0.50) CYP1A2POLBHPGDHTTSMN1; SMN2
SCHEMBL10392611 0.83 HTT (0.50) CYP1A2POLBHPGDHTTSMN1; SMN2
SCHEMBL31128475 0.83 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9921411 0.83 HTT (0.50) CYP1A2POLBHPGDHTTSMN1; SMN2
SCHEMBL25936273 0.81 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17065557 0.81 TP53 (0.48) TLR4CYP1A2POLBHPGDHTT
SCHEMBL31128473 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14231921 0.78 CYP1A2 (0.52) CYP1A2POLBHPGDHTTTSHR

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 CHRNB2 4863/4885CHRNA4 4885/4885CHRNB4 4868/4885

“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.