SCHEMBL1765342

SCHEMBL1765342

CC(C)CC(Oc1ccc(Br)c(C2OCCCO2)c1)c1ccc(C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GCGR P47871 1/20 0.35
MAPK1 P28482 1/20 0.34
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
SRD5A2 P31213 3/20 0.32
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
RARB P10826 1/20 0.32
PTGER4 P35408 3/20 0.31
SLC6A4 P31645 1/20 0.31
PTGER2 P43116 1/20 0.31

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
SCHEMBL1765090 0.90 HPGD (0.35) KMT2AMEN1GCGR
SCHEMBL3777521 0.83 MAPT (0.34) KMT2AMEN1MAPK1SRD5A2SLC6A4
SCHEMBL11900271 0.75 KMT2A (0.51) KMT2AMEN1GCGRMAPK1RXRA
SCHEMBL3777515 0.74 KMT2A (0.40) KMT2AMEN1GCGRMAPK1RXRA
SCHEMBL14966687 0.71 KMT2A (0.51) KMT2AGCGRMAPK1RXRARXRB
SCHEMBL23708885 0.70 HPGD (0.46) KMT2AMEN1MAPK1CYP3A4
SCHEMBL3777519 0.70 PDE4A (0.31)
SCHEMBL15995789 0.70 ALDH1A1 (0.39) KMT2AMEN1MAPK1SRD5A2
SCHEMBL17796062 0.69 NPC1 (0.47) KMT2AMEN1
SCHEMBL1765530 0.66 RXRA (0.49) KMT2AGCGRRXRARXRBSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609892-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2013-12-17 US disclosed
US-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2011-05-26 US disclosed
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2010-12-23 US disclosed
US-7816557-B2 3-{4-[1-(4'-tert-butyl-2,6-dimethyl-biphenyl-4-yloxy)-4,4,4-trifluoro-butyl]-benzoylamino}-propionic acid; treat diabetic and other glucagon related metabolic disorders ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
EP-2159221-A1 Glucagon receptor antagonists, preparation and therapeutic uses Eli Lilly & Company (US) 2010-03-03 EP disclosed
EP-1758853-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-20 EP disclosed
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY (US) 2007-10-25 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 (3 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-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR KMT2A 3235/4885MEN1 1936/4885GCGR 2/4885
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR KMT2A 3235/4885MEN1 1936/4885GCGR 2/4885
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR KMT2A 3235/4885MEN1 1936/4885GCGR 2/4885

“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.