SCHEMBL11900436

SCHEMBL11900436

COC(=O)c1ccc(C(=O)C2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 1/20 0.53
MGLL Q99685 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL12490673 0.88 NPC1 (0.61) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL16861595 0.83 NPC1 (0.71) ALDH1A1MGLLMEN1KMT2ANPC1
SCHEMBL2349726 0.83 NPC1 (0.70) ALDH1A1HSD17B10MEN1KMT2ANPC1
SCHEMBL11900371 0.83 SRD5A2 (0.57) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL20134881 0.81 POLB (0.62) ALDH1A1MGLLMEN1KMT2ANPC1
SCHEMBL24232929 0.80 LOXL2 (0.47) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL12733062 0.80 HPGD (0.53) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL13944265 0.80 MEN1 (0.66) ALDH1A1HSD17B10MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL4193255 0.79 MEN1 (0.69) ALDH1A1HSD17B10MEN1KMT2ANPC1
SCHEMBL1707168 0.78 MEN1 (0.54) ALDH1A1HPGDALOX15MGLLHSD17B10

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-09-24 US disclosed
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2013-11-07 US disclosed
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2013-11-07 US disclosed
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2013-11-07 US disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
WO-2012107850-A1 GLUCAGON RECEPTOR MODULATOR PFIZER INC. (US) 2012-08-16 WO disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 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 (4 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-20150266859-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ALDH1A1 2684/4885HPGD 2783/4885ALOX15 2754/4885
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ALDH1A1 2684/4885HPGD 2783/4885ALOX15 2754/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ALDH1A1 2684/4885HPGD 2783/4885ALOX15 2754/4885
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ALDH1A1 2684/4885HPGD 2783/4885ALOX15 2754/4885

“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.