SCHEMBL2543007

SCHEMBL2543007

Clc1ccccc1[C]1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
BRD4 O60885 1/20 0.40
DPP4 P27487 1/20 0.40
GALR1 P47211 1/20 0.39
HSD11B1 P28845 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL7842540 0.95 CYP2A6 (0.48) CYP2A6ALDH1A1L3MBTL1POLBMAPT
SCHEMBL18549966 0.93 CYP2A6 (0.46) CYP2A6ALDH1A1L3MBTL1POLBMAPT
SCHEMBL695559 0.90 CYP2A6 (0.52) CYP2A6ALDH1A1L3MBTL1POLBMAPT
SCHEMBL11307092 0.83 CNR2 (0.42) ALDH1A1POLBMAPTMAPK1TSHR
SCHEMBL6075548 0.76 CYP2A6 (0.40) CYP2A6ALDH1A1LMNATSHRNPC1
SCHEMBL6570335 0.75 CYP2A6 (0.48) CYP2A6ALDH1A1L3MBTL1POLBMAPT
SCHEMBL3807297 0.75 NOTUM (0.42) CYP2A6MAPTMAPK1TSHRIDO1
SCHEMBL671133 0.74 CYP2A6 (0.67) CYP2A6ALDH1A1POLBHSD17B10LMNA
SCHEMBL29883244 0.74 CYP2A6 (0.67) CYP2A6ALDH1A1POLBHSD17B10LMNA
SCHEMBL29802156 0.74 CYP2A6 (0.67) CYP2A6ALDH1A1POLBHSD17B10LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US claimed
EP-2099300-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2009-09-16 EP claimed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO claimed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
EP-2099300-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2009-09-16 EP disclosed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
CN-1045291-C Therapeutic agents BOOTS CO PLC (GB) 1999-09-29 CN 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-20100298387-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN CYP2A6 2823/4885ALDH1A1 2969/4885L3MBTL1 3558/4885

“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.