SCHEMBL6763544

SCHEMBL6763544

O=C1C=C(c2ccccc2O)CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
PTGS2 P35354 1/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
NAMPT P43490 1/20 0.35
MAPT P10636 2/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL13492170 0.78 KDM4E (0.39) MAOAMAOBCASP3SENP8SENP7
SCHEMBL6764241 0.77 CA9 (0.38) MAOBALDH1A1HPGDHSD17B10MEN1
SCHEMBL11351269 0.77 HSP90AA1 (0.44) MAOBALDH1A1HSD17B10MAPT
SCHEMBL6235941 0.75 NISCH (0.48) PTGS2MAOAMAOBALDH1A1HPGD
SCHEMBL3216042 0.74 NOTUM (0.42) MAOAMAOBALDH1A1HPGDMEN1
SCHEMBL979881 0.72 KMT2A (0.45) PTGS2MAOAMAOBALDH1A1HPGD
SCHEMBL17073804 0.69 NPC1 (0.43) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11111586 0.69 PTPN1 (0.43) PTPN1MAOAMAOBALDH1A1HPGD
SCHEMBL11357131 0.68 L3MBTL1 (0.44) MAOAMAOBMAPTMCL1IDO1
SCHEMBL11116210 0.67 PTPN1 (0.44) PTPN1MAOAMAOBALDH1A1HPGD

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-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 US disclosed
CN-1441800-A β3Adrenergic agonists LILLY CO ELI (US) 2003-09-10 CN disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 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 (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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 PTPN1 3953/4885PTGS2 1049/4885MAOA 531/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 PTPN1 3590/4885PTGS2 1161/4885MAOA 569/4885

“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.