SCHEMBL1897614

SCHEMBL1897614

COC(=O)c1ccc(Cc2ccc3cc(OC)ccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
PTGS1 P23219 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KMT2A Q03164 2/20 0.51
PLAU P00749 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50

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
SCHEMBL8993003 0.87 CA1 (0.78) CA1CA2KDM4EMAPTNPC1
SCHEMBL8993024 0.85 MTNR1A (0.60) CA1CA2MAPTNPC1RAB9A
SCHEMBL4940300 0.84 KDM4E (0.55) CA1CA2PTGS1AKR1C3AKR1C2
SCHEMBL1856468 0.82 KDM4E (0.70) CA1CA2KDM4EMAPTNPC1
SCHEMBL69454 0.82 LOXL2 (0.70) CA1CA2KDM4EMAPTNPC1
SCHEMBL16573858 0.81 CA1 (0.68) CA1CA2KDM4EMAPTSMN1; SMN2
SCHEMBL9234845 0.80 CA1 (0.60) CA1CA2MAPTNPC1RAB9A
SCHEMBL7558803 0.80 CA1 (0.65) CA1CA2KDM4EMAPTNPC1
SCHEMBL15897010 0.80 CYP11B1 (0.69) CA1CA2KDM4EMAPTCYP1A2
SCHEMBL545959 0.79 KDM4E (0.66) CA1CA2KDM4EMAPTNPC1

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-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use MERCK SHARP & DOHME LLC 2009-04-23 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-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use GCGR, GLP1R, GPR119 CA1 2428/4885CA2 1288/4885PTGS1 1014/4885

“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.