SCHEMBL7362723

SCHEMBL7362723

COC(=O)c1cc(C)cc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
LMNA P02545 1/20 0.63
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAOB P27338 3/20 0.54
NR4A2 P43354 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
SMPD1 P17405 1/20 0.51
GRM5 P41594 1/20 0.51
MRGPRX4 Q96LA9 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PTPN1 P18031 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL183994 0.91 LMNA (0.70) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL391547 0.91 MEN1 (0.71) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL9454243 0.89 KMT2A (0.59) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL3132629 0.87 LMNA (0.62) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL29475634 0.87 LMNA (0.69) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL340311 0.87 LMNA (0.65) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL90412 0.87 LMNA (0.69) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL3129603 0.87 MEN1 (0.74) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL29788280 0.87 LMNA (0.65) HPGDLMNAMEN1KMT2AMAOB
SCHEMBL7358147 0.87 MEN1 (0.79) MEN1KMT2AMAOBNR4A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3105228-B1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DIABETES AND OBESITY TAKEDA PHARMACEUTICALS CO (JP) 2018-09-26 EP disclosed
US-10023544-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-17 US disclosed
US-10005805-B2 2018-06-26 US disclosed
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. 2017-04-06 US disclosed
EP-3105228-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-12-21 EP disclosed
US-9522926-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2016-12-20 US disclosed
US-20160347724-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-01 US disclosed
US-9428470-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-30 US disclosed
WO-2015122188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 WO disclosed
US-20150225354-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-30 US disclosed
US-8940927-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
WO-1997011960-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1997-04-03 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-10005805-B2 GCKR, GCK, HK1 HPGD 1767/4885LMNA 3338/4885MEN1 2932/4885
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 HPGD 2115/4885LMNA 3764/4885MEN1 3209/4885
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 HPGD 2115/4885LMNA 3764/4885MEN1 3209/4885
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 HPGD 2115/4885LMNA 3764/4885MEN1 3209/4885
US-20150225354-A1 HETEROCYCLIC COMPOUND MMP2, DPP4, TMPRSS15 HPGD 353/4885LMNA 2356/4885MEN1 1193/4885
US-20160347724-A1 HETEROCYCLIC COMPOUND MMP2, DPP4, TMPRSS15 HPGD 353/4885LMNA 2356/4885MEN1 1193/4885
US-10023544-B2 Heterocyclic compound MMP2, DPP4, TMPRSS15 HPGD 353/4885LMNA 2356/4885MEN1 1193/4885

“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.