SCHEMBL12356802

SCHEMBL12356802

COC(=O)c1ccc(C2(c3ccc(OC)cc3)CCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
MAPT P10636 5/20 0.54
KDM4E B2RXH2 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PLK1 P53350 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL139339 0.90 CA1 (0.57) CA1CA2MAPTKDM4EKMT2A
SCHEMBL12356803 0.86 CA1 (0.65) CA1CA2MAPTKDM4ESMN1; SMN2
SCHEMBL2245739 0.86 CA1 (0.65) CA1CA2MAPTLMNATDP1
SCHEMBL2250962 0.83 CA1 (0.65) CA1CA2MAPTLMNATDP1
SCHEMBL12918483 0.81 CA1 (0.62) CA1CA2MAPTKDM4ELMNA
SCHEMBL17131378 0.81 ADORA3 (0.51) CA1CA2MAPTKDM4EKMT2A
Methyl 4-Methoxybenzoate SCHEMBL231243 0.81 CA1 (1.00) CA1CA2MAPTKDM4EKMT2A
SCHEMBL13864906 0.80 TDP1 (0.53) CA1CA2MAPTKDM4EKMT2A
SCHEMBL16775320 0.80 SLC6A2 (0.51) CA1CA2MAPTKDM4EKMT2A
SCHEMBL12345968 0.80 KMT2A (0.48) CA1CA2MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 CA1 2428/4885CA2 1288/4885MAPT 4554/4885

“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.