SCHEMBL1749031

SCHEMBL1749031

CC(C)COc1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
GPR88 Q9GZN0 1/20 0.58
PTGS2 P35354 9/20 0.56
PTGS1 P23219 6/20 0.56
AKR1C3 P42330 5/20 0.56
AKR1C2 P52895 4/20 0.56
LMNA P02545 2/20 0.56
CYP2C9 P11712 2/20 0.56
CXCR1 P25024 2/20 0.56
CXCR2 P25025 2/20 0.56
SLC22A6 Q4U2R8 2/20 0.56
TSHR P16473 2/20 0.56
ALB P02768 1/20 0.56
ESR1 P03372 1/20 0.56
ALOX5 P09917 1/20 0.56
RARB P10826 1/20 0.56
ADRB3 P13945 1/20 0.56
NFKB1 P19838 1/20 0.56
HTR2A P28223 1/20 0.56
NR1I3 Q14994 1/20 0.56

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
SCHEMBL9474798 0.88 LMNA (0.59) MAPTGPR88PTGS2PTGS1AKR1C3
SCHEMBL5881684 0.84 AKR1C3 (0.73) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5696261 0.83 MAPK1 (0.66) GPR88PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6288746 0.82 AKR1C3 (0.54) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL9628807 0.81 AKR1C3 (0.47) MAPTGPR88PTGS2PTGS1AKR1C3
SCHEMBL8403335 0.81 GPR88 (0.59) GPR88PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL7403967 0.81 GPR88 (0.59) GPR88PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL14599721 0.81 GPR88 (0.59) GPR88PTGS2AKR1C3AKR1C2LMNA
SCHEMBL31483438 0.80 MAPT (0.74) MAPTGPR88LMNATSHRACACB
SCHEMBL28133951 0.80 PTGS1 (0.65) MAPTGPR88PTGS2PTGS1AKR1C3

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-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 MAPT 4824/4885GPR88 806/4885PTGS2 305/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885GPR88 799/4885PTGS2 290/4885

“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.