SCHEMBL11900526

SCHEMBL11900526

CCCC(=O)c1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.56
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL1548021 0.87 HTT (0.51) DGAT1ALDH1A1RAB9AKMT2AMAPT
SCHEMBL1145090 0.86 ALDH1A1 (0.44) DGAT1ALDH1A1HPGDALOX15TSHR
SCHEMBL153069 0.86 DGAT1 (0.59) DGAT1ALDH1A1HPGDTSHRRAB9A
SCHEMBL29688799 0.86 DGAT1 (0.59) DGAT1ALDH1A1HPGDTSHRRAB9A
SCHEMBL3054837 0.83 DGAT1 (0.56) DGAT1ALDH1A1RECQLTDP1RAB9A
SCHEMBL6944180 0.82 CES2 (0.57) ALDH1A1HPGDALOX15TSHRRECQL
SCHEMBL13451235 0.82 DGAT1 (0.47) DGAT1ALDH1A1HPGDTSHRRAB9A
SCHEMBL18367285 0.81 DGAT1 (0.50) DGAT1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL2240875 0.81 HPGD (0.46) ALDH1A1HPGDALOX15TSHRRECQL
SCHEMBL20134974 0.81 MEN1 (0.49) ALDH1A1HPGDALOX15TSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526219-B1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP 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-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-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 DGAT1 1934/4885ALDH1A1 2684/4885HPGD 2783/4885
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 DGAT1 1934/4885ALDH1A1 2684/4885HPGD 2783/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 DGAT1 1934/4885ALDH1A1 2684/4885HPGD 2783/4885
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 DGAT1 1934/4885ALDH1A1 2684/4885HPGD 2783/4885

“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.