SCHEMBL3519499

SCHEMBL3519499

COC(=O)C1(C)Cc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL30726842 0.83 BRD4 (0.49) POLBL3MBTL1LMNAHTTALDH1A1
SCHEMBL30817420 0.82 L3MBTL1 (0.38) POLBL3MBTL1LMNAHTTALDH1A1
SCHEMBL3520901 0.81 POLB (0.47) POLBL3MBTL1LMNAHTTTP53
SCHEMBL4458326 0.81 MAPT (0.43) POLBL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL4460348 0.80 SMN1; SMN2 (0.48) POLBL3MBTL1LMNAHTTALDH1A1
SCHEMBL19469647 0.80 PPARA (0.40) POLBL3MBTL1LMNAALDH1A1TP53
SCHEMBL19030199 0.79 AKR1B1 (0.40) POLBL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL13903650 0.79 HIF1A (0.39) POLBL3MBTL1HTTALDH1A1MAPT
SCHEMBL9752016 0.77 MAOA (0.41) POLBL3MBTL1LMNAHTTALDH1A1
SCHEMBL4383883 0.77 CYP2D6 (0.39) POLBL3MBTL1LMNAHTTALDH1A1

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-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
WO-2017187321-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AbbVie S.à.r.l. (LU) 2017-11-02 WO disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP disclosed
US-20050203112-A1 Bicyclic amides MERCK SHARP & DOHME CORP. 2005-09-15 US disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 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 (3 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-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH POLB 1642/4885L3MBTL1 3304/4885LMNA 1637/4885
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 POLB 3915/4885L3MBTL1 2600/4885LMNA 4584/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 POLB 3915/4885L3MBTL1 2600/4885LMNA 4584/4885

“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.