SCHEMBL1376557

SCHEMBL1376557

CCOC(OC)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PTGS2 P35354 4/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
EPHX1 P07099 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP17A1 P05093 2/20 0.36
MMP12 P39900 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
SCHEMBL22311218 0.90 PTGS2 (0.46) CHRNB2CHRNA4PTGS2BCHEACHE
SCHEMBL5704661 0.88 L3MBTL1 (0.41) PTGS2BCHEACHEL3MBTL1
SCHEMBL2522160 0.84 PTGS2 (0.47) CHRNB2CHRNA4PTGS2EPHX1MMP12
SCHEMBL1372415 0.79 ACHE (0.42) PTGS2BCHEACHE
SCHEMBL27191 0.78 ACHE (0.47) PTGS2BCHEACHEL3MBTL1
SCHEMBL7929312 0.77 PTGS2 (0.41) PTGS2BCHEACHE
SCHEMBL28346107 0.77 CHRNB2 (0.44) CHRNB2CHRNA4PTGS2L3MBTL1CYP17A1
SCHEMBL29222878 0.77 PTGS2 (0.46) CHRNB2CHRNA4PTGS2L3MBTL1
SCHEMBL19543236 0.76 NQO1 (0.54) PTGS2BCHEACHEL3MBTL1
SCHEMBL7922792 0.75 PTGS2 (0.39) PTGS2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-11-24 US 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-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS TPI1, TTI1, TST CHRNB2 4839/4885CHRNA4 4833/4885PTGS2 375/4885

“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.