SCHEMBL11900945

SCHEMBL11900945

CCOC(=O)c1ccc(C(=O)C2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 4/20 0.56
HTT P42858 4/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ESR1 P03372 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ESR2 Q92731 1/20 0.56
CA14 Q9ULX7 1/20 0.56
NPC1 O15118 2/20 0.56
CYP1A2 P05177 2/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
MAPT P10636 1/20 0.53
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL2250288 0.97 RAB9A (0.57) POLBRAB9AALDH1A1HTTCA12
SCHEMBL2245806 0.93 RAB9A (0.65) POLBRAB9AALDH1A1HTTCA12
SCHEMBL1363417 0.83 ALDH1A1 (0.59) POLBRAB9AALDH1A1HTTMAPT
Cyclohexane SCHEMBL2917907 0.82 CA1 (0.73) RAB9AALDH1A1HTTCA12CA1
SCHEMBL11901124 0.81 CA12 (0.53) RAB9AALDH1A1HTTCA12CA1
SCHEMBL15943127 0.81 RAB9A (0.55) POLBRAB9AALDH1A1HTTCA12
SCHEMBL28393189 0.80 HRH2 (0.47) POLBRAB9AALDH1A1HTTLMNA
SCHEMBL87450 0.80 CA1 (0.83) RAB9AALDH1A1HTTCA12CA1
SCHEMBL11901153 0.80 CA12 (0.51) RAB9AALDH1A1HTTCA12CA1
SCHEMBL10229518 0.79 SRD5A2 (0.57) POLBRAB9AALDH1A1NPC1LMNA

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 33 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
CN-103370306-B Glucagon Receptor Modulators PFIZER INC. (US) 2015-12-02 CN 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 POLB 4739/4885RAB9A 1825/4885ALDH1A1 2684/4885
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 POLB 4739/4885RAB9A 1825/4885ALDH1A1 2684/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 POLB 4739/4885RAB9A 1825/4885ALDH1A1 2684/4885
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 POLB 4739/4885RAB9A 1825/4885ALDH1A1 2684/4885

“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.