SCHEMBL2656929

SCHEMBL2656929

C=CCC(CC=C)(C(=O)OCC)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 3/20 0.36

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
SCHEMBL2661556 0.92 ALDH1A1 (0.43) ALDH1A1LMNANPSR1CYP1A2CYP2C9
SCHEMBL14710361 0.81 ALDH1A1 (0.47) ALDH1A1LMNANPSR1CYP1A2CYP2C9
SCHEMBL29134883 0.79 ALDH1A1 (0.41) ALDH1A1LMNANPSR1CYP1A2CYP2C9
SCHEMBL9796995 0.77 ALDH1A1 (0.56) ALDH1A1NPSR1SMN1; SMN2TSHRKMT2A
SCHEMBL27636591 0.76 LMNA (0.43) ALDH1A1LMNANPSR1CYP1A2CYP2C9
SCHEMBL11384534 0.76 ALDH1A1 (0.50) ALDH1A1LMNANPSR1CYP1A2CYP2C9
SCHEMBL9211 0.74 ALDH1A1 (0.49) ALDH1A1LMNANPSR1CYP1A2CYP2C9
SCHEMBL11785061 0.74 ALDH1A1 (0.49) ALDH1A1LMNANPSR1CYP1A2CYP2C9
SCHEMBL18982867 0.74 ALDH1A1 (0.49) ALDH1A1LMNANPSR1CYP1A2CYP2C9
SCHEMBL1684350 0.74 ALDH1A1 (0.49) ALDH1A1LMNANPSR1CYP1A2CYP2C9

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-8076374-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; 3-{4-[1-Allyl-1-(4'-trifluoromethyl-biphenyl-4-yloxymethyl)-but-3-enyl]-benzoylamino}-propionic acid; ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
EP-1951659-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-07-14 EP disclosed
US-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-12-25 US disclosed
EP-1951659-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-06 EP disclosed
WO-2007114855-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-11 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 (1 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-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR ALDH1A1 2897/4885LMNA 3722/4885NPSR1 232/4885

“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.