SCHEMBL12993276

SCHEMBL12993276

COC(=O)c1ccc(Oc2cccc(CO)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRM1 P35372 5/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 3/20 0.46
MAPK1 P28482 2/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
BRCA1 P38398 1/20 0.42
HBB P68871 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4250555 0.88 PDE4B (0.54) LMNAL3MBTL1TSHRSMN1; SMN2OPRM1
SCHEMBL31724715 0.86 ROCK1 (0.47) LMNAL3MBTL1SMN1; SMN2OPRM1OPRD1
SCHEMBL4260035 0.86 TSHR (0.59) L3MBTL1TSHRSMN1; SMN2OPRM1OPRD1
SCHEMBL19406082 0.84 MAOB (0.51) LMNASMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL30737420 0.84 LMNA (0.43) LMNAL3MBTL1OPRM1OPRD1OPRK1
SCHEMBL30737193 0.83 LMNA (0.51) LMNAL3MBTL1MAPK1KDM4EGRN
SCHEMBL27234556 0.82 LMNA (0.42) LMNAL3MBTL1OPRM1OPRD1OPRK1
SCHEMBL693093 0.82 HRH3 (0.59) LMNAL3MBTL1MAPK1KDM4EALDH1A1
SCHEMBL31646829 0.82 L3MBTL1 (0.54) LMNAL3MBTL1MAPK1KDM4EALDH1A1
SCHEMBL31646216 0.81 MAPT (0.50) LMNAL3MBTL1MAPK1KDM4EGRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998538-B2 Piperidine urea derivatives as soluble epoxide hydrolase inhibitors NEUROPN THERAPEUTICS (US) 2024-06-04 US disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
EP-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 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 (2 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-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 LMNA 1369/4885L3MBTL1 4392/4885TSHR 1992/4885
US-11998538-B2 Piperidine urea derivatives as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, HPGDS LMNA 2951/4885L3MBTL1 4672/4885TSHR 4531/4885

“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.