SCHEMBL2657085

SCHEMBL2657085

C=C(C)CC[CH]c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 6/20 0.36
TSHR P16473 2/20 0.36
AKR1C3 P42330 1/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2A6 P11509 1/20 0.36
RECQL P46063 1/20 0.35
ALOX15 P16050 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
FBP1 P09467 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27997223 0.80 SIGMAR1 (0.46) CYP3A4GLATDP1ALOX15NPC1
SCHEMBL9355914 0.78 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRAKR1C3GLA
Benzaldehyde SCHEMBL28095362 0.75 ALDH1A1 (0.52) CYP3A4ALDH1A1TSHRAKR1C3GLA
SCHEMBL6037485 0.74 ALDH1A1 (0.52) ALDH1A1TSHRCYP2A6RECQLGAA
Styrene SCHEMBL9309170 0.73 ALDH1A1 (0.45) CYP3A4ALDH1A1TSHRAKR1C3GLA
SCHEMBL5329189 0.71 ALDH1A1 (0.41) CYP3A4ALDH1A1TSHRAKR1C3GLA
SCHEMBL5333126 0.71 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3GLATDP1
SCHEMBL27649582 0.71 AKT1 (0.57) ALDH1A1TSHRHTTMEN1MAPT
SCHEMBL245276 0.70 ALDH1A1 (0.43) ALDH1A1TSHRCYP2A6RECQLL3MBTL1
SCHEMBL135039 0.70 ALDH1A1 (0.43) ALDH1A1TSHRTDP1CYP2A6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP claimed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP claimed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
US-10807946-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-18 US disclosed
US-10239829-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
EP-2786985-B1 Antagonists of the glucagon receptor METABASIS THERAPEUTICS INC (US) 2018-11-28 EP disclosed
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. 2017-09-28 US disclosed
US-9701626-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2017-07-11 US disclosed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US disclosed
US-9169201-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2015-10-27 US disclosed
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP disclosed
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-8710236-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2014-04-29 US disclosed
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor METABASIS THERAPEUTICS, INC. (US) 2012-08-23 US disclosed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP disclosed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 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 (7 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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 CYP3A4 2444/4885ALDH1A1 4642/4885TSHR 64/4885
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 CYP3A4 2495/4885ALDH1A1 4644/4885TSHR 64/4885
US-10239829-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 CYP3A4 2256/4885ALDH1A1 4662/4885TSHR 64/4885
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 CYP3A4 2444/4885ALDH1A1 4642/4885TSHR 64/4885
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor GLP1R, GCGR, GPR119 CYP3A4 2444/4885ALDH1A1 4642/4885TSHR 64/4885
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 CYP3A4 2444/4885ALDH1A1 4642/4885TSHR 64/4885
US-10807946-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 CYP3A4 2217/4885ALDH1A1 4657/4885TSHR 64/4885

“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.