SCHEMBL5530665

SCHEMBL5530665

O=CCCCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PAOX Q6QHF9 1/20 0.45
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
RAB9A P51151 1/20 0.41
KDM1A O60341 1/20 0.41
LMNA P02545 2/20 0.40
HTR7 P34969 2/20 0.40

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
SCHEMBL7291054 1.00 KEAP1 (0.50) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL7283905 1.00 KEAP1 (0.50) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL7294030 1.00 KEAP1 (0.50) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL7381439 1.00 KEAP1 (0.50) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL6764986 1.00 KEAP1 (0.50) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL7291045 0.98 KEAP1 (0.52) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL1446165 0.92 KEAP1 (0.54) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL986238 0.85 HRH3 (0.46) PAOXHIF1A
SCHEMBL984275 0.85 HRH3 (0.46) PAOXHIF1A
SCHEMBL425926 0.83 GLA (0.47) KEAP1SMN1; SMN2PAOXHPGDDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221771-B2 Formulations containing an immune response modifier 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-07-17 US disclosed
US-20070292456-A1 Formulations Containing an Immune Response Modifier 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-20 US disclosed
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
US-5328916-A Renin inhibitors, hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-12 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0499080-A2 Aminoacid derivatibes MERCK PATENT GmbH (DE) 1992-08-19 EP disclosed
EP-0490259-A2 Aminoacid and peptid derivatives with renin inhibiting properties MERCK PATENT GmbH (DE) 1992-06-17 EP disclosed
EP-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0474008-A1 Amino acid derivatives MERCK PATENT GmbH (DE) 1992-03-11 EP disclosed
EP-0464517-A2 Amino acid derivatives with renin inhibiting activity MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN 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-20070292456-A1 Formulations Containing an Immune Response Modifier IFNG, IRF3, ICOS KEAP1 448/4885SMN1; SMN2 3797/4885PAOX 4507/4885

“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.