SCHEMBL5449123

SCHEMBL5449123

O=C(O)c1cccc2c1COC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 3/20 0.44
PARP1 P09874 1/20 0.44
HSP90AA1 P07900 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LIG1 P18858 1/20 0.42
HNF4A P41235 1/20 0.42
ALOX15 P16050 1/20 0.41
TYMS P04818 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MYC P01106 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNJ1 P48048 1/20 0.40
PRF1 P14222 1/20 0.38

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
SCHEMBL28291466 0.77 KCNJ1 (0.55) TYMSKCNJ1PRF1
SCHEMBL19138021 0.77 GFER (0.38) ALDH1A1L3MBTL1LMNAMAPTHSD17B10
Phthalic Acid SCHEMBL28175409 0.76 MAOA (0.71) ALDH1A1L3MBTL1LMNAMAPTHSD17B10
Phthalic Acid SCHEMBL28175410 0.76 MAOA (0.71) ALDH1A1L3MBTL1LMNAMAPTHSD17B10
SCHEMBL78594 0.75 MAOB (0.47) ALDH1A1LMNAMAPTHSD17B10PARP1
SCHEMBL29793269 0.75 MAOB (0.47) ALDH1A1LMNAMAPTHSD17B10PARP1
SCHEMBL1759573 0.74 MRGPRX4 (0.51) ALDH1A1L3MBTL1LMNAMAPTHSD17B10
SCHEMBL5866455 0.74 HSP90AA1 (0.62) ALDH1A1L3MBTL1LMNAMAPTHSD17B10
SCHEMBL9517001 0.74 AKR1B1 (0.43) ALDH1A1MAPTHSD17B10MAOAMAOB
SCHEMBL2808621 0.74 TRPA1 (0.39) ALDH1A1L3MBTL1LMNAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
EP-1723126-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
WO-2005040157-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R ALDH1A1 716/4885L3MBTL1 2576/4885LMNA 3898/4885
US-20070135485-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R ALDH1A1 1891/4885L3MBTL1 2458/4885LMNA 4546/4885

“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.