SCHEMBL7120115

SCHEMBL7120115

C1=CC2CCCCCCCCCCCC12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 2/20 0.34
HSD11B2 P80365 1/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL18107133 1.00
SCHEMBL6323393 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10HSD11B1HSD11B2POLB
SCHEMBL1047397 0.96
SCHEMBL1047645 0.87
SCHEMBL3986300 0.87
SCHEMBL122550 0.85 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL15467307 0.85 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL831131 0.80 ALDH1A1 (0.32) ALDH1A1HSD17B10
SCHEMBL6900404 0.77 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL4752145 0.77 ALDH1A1 (0.37) ALDH1A1HSD17B10

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
EP-1480639-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2004-12-01 EP disclosed
US-20030199567-A1 Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 TAYLOR CHARLES PRICE (US) 2003-10-23 US disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 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-20030199567-A1 Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 CACNG2, GABRB2, CACNG4 ALDH1A1 543/4885HSD17B10 1094/4885HSD11B1 962/4885

“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.