SCHEMBL5384385

SCHEMBL5384385

CC(C)=CCOc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
LMNA P02545 1/20 0.54
PGR P06401 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CNR1 P21554 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
AGTR1 P30556 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
BLM P54132 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL6653306 0.89 MAPT (0.60) MAOBMAPTHPGDMEN1NR1I2
SCHEMBL6652397 0.88 ALOX5 (0.53) MAOBMAPTHPGDMEN1NR1I2
SCHEMBL5376930 0.87 MAOB (0.48) MAOBMAPTHPGDMEN1NR1I2
SCHEMBL5376922 0.81 MAOB (0.51) MAOBMAPTHPGDMEN1NR1I2
SCHEMBL3901893 0.81 ALOX5 (0.58) MAOBMAPTHPGDMEN1NR1I2
SCHEMBL28964412 0.80 ALOX5 (0.55) MAOBMAPTHPGDMEN1NR1I2
SCHEMBL5390124 0.80 GAA (0.53) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL5519287 0.79 MAOB (0.53) MAOBMAPTHPGDMEN1NR1I2
SCHEMBL6432997 0.79 MAOB (0.64) MAOBHPGDALDH1A1
SCHEMBL9364600 0.79 MEN1 (0.70) MAOBMAPTHPGDMEN1NR1I2

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-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 MAOB 2145/4885MAPT 1587/4885HPGD 2065/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS MAOB 2860/4885MAPT 2433/4885HPGD 1933/4885

“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.