SCHEMBL12470261

SCHEMBL12470261

CCOC(=O)c1ccc(COC2CCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ESR1 P03372 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
ESR2 Q92731 1/20 0.54
CA14 Q9ULX7 1/20 0.54
RAB9A P51151 4/20 0.49
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46

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
Hydrochloric Acid SCHEMBL4465204 0.86 CA12 (0.49) CA12CA1CA2ESR1CA7
SCHEMBL927465 0.81 LOXL2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1750107 0.80 KMT2A (0.47) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL11758763 0.79 PARP10 (0.59) CA12CA1CA2ESR1CA7
SCHEMBL7324645 0.79 BCHE (0.56) LMNASMN1; SMN2HTTMAPTPOLB
SCHEMBL13267205 0.78 LOXL2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL10821032 0.77 CA1 (0.69) CA12CA1CA2ESR1CA7
SCHEMBL483590 0.77 HTT (0.58) CA12CA1CA2ESR1CA7
Cyclohexane SCHEMBL2917907 0.77 CA1 (0.73) CA12CA1CA2ESR1CA7
SCHEMBL1749785 0.76 KMT2A (0.51) RAB9ANPC1SMN1; SMN2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
US-20140371467-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2014-12-18 US disclosed
EP-2673260-A1 GLUCAGON RECEPTOR MODULATOR Pfizer Inc (US) 2013-12-18 EP disclosed
WO-2012107850-A1 GLUCAGON RECEPTOR MODULATOR PFIZER INC. (US) 2012-08-16 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 (2 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-20140371467-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CA12 2808/4885CA1 3307/4885CA2 1259/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CA12 2808/4885CA1 3307/4885CA2 1259/4885

“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.