SCHEMBL5605077

SCHEMBL5605077

CCOC(=O)Cc1c(C)[nH]c2ccc(OC)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.74
MTNR1A P48039 2/20 0.59
MTNR1B P49286 2/20 0.59
HTR1D P28221 2/20 0.58
HTR6 P50406 2/20 0.58
ALDH1A1 P00352 10/20 0.57
KDM4E B2RXH2 9/20 0.57
HPGD P15428 6/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MCL1 Q07820 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HTR1A P08908 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR1E P28566 1/20 0.55
HTR7 P34969 1/20 0.55
HTR5A P47898 1/20 0.55
HSD17B10 Q99714 5/20 0.54
NQO2 P16083 1/20 0.53

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
SCHEMBL8978303 0.90 AKR1C2 (0.67) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8681515 0.89 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL6825151 0.89 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL30604527 0.89 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL7952956 0.87 HTR6 (0.57) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL14451078 0.87 AKR1C2 (0.66) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8293076 0.86 MTNR1A (0.62) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL3958468 0.86 ALDH1A1 (0.71) AKR1C2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL29628777 0.86 ALDH1A1 (0.71) AKR1C2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL14610676 0.86 AKR1C2 (0.65) AKR1C2MTNR1AMTNR1BHTR1DHTR6

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
EP-1418902-A4 NOVEL METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF DYSMENORRHOEA AND MENSTRUAL SIDE EFFECTS: THE USE OF PHOSPHOLIPASE INHIBITORS UNIV QUEENSLAND (AU) 2007-06-13 EP disclosed
WO-2006099416-A1 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 WO disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20040247639-A1 Novel methods and compositions for the treatment or prevention of dysmenorrhoea and menstrual side effects: the use of phospholipase inhibitors QUEENSLAND, THE UNIVERSITY OF (AU) 2004-12-09 US disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
EP-1418902-A1 NOVEL METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF DYSMENORRHOEA AND MENSTRUAL SIDE EFFECTS: THE USE OF PHOSPHOLIPASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2004-05-19 EP disclosed
WO-2002005808-A1 NOVEL METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF DYSMENORRHOEA AND MENSTRUAL SIDE EFFECTS: THE USE OF PHOSPHOLIPASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-24 WO disclosed
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
US-4160862-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1979-07-10 US disclosed
US-4021431-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-05-03 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 (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-20040247639-A1 Novel methods and compositions for the treatment or prevention of dysmenorrhoea and menstrual side effects: the use of phospholipase inhibitors PLA2G12A, PLA2G1B, PLA2G2E AKR1C2 3434/4885MTNR1A 279/4885MTNR1B 219/4885

“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.