SCHEMBL8754792

SCHEMBL8754792

COC(=O)C([11CH3])c1ccc(CC(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 5/20 0.69
CXCR2 P25025 5/20 0.69
PTGS2 P35354 6/20 0.66
PTGS1 P23219 3/20 0.66
LMNA P02545 2/20 0.66
CYP2C9 P11712 2/20 0.66
AKR1C3 P42330 2/20 0.66
ALB P02768 1/20 0.66
ESR1 P03372 1/20 0.66
ALOX5 P09917 1/20 0.66
RARB P10826 1/20 0.66
ADRB3 P13945 1/20 0.66
NFKB1 P19838 1/20 0.66
HTR2A P28223 1/20 0.66
NR1I3 Q14994 1/20 0.66
SLC22A6 Q4U2R8 1/20 0.66
CXCL8 P10145 1/20 0.66
TSHR P16473 1/20 0.66
AKR1C2 P52895 1/20 0.66
BLM P54132 1/20 0.66

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
SCHEMBL8001977 1.00 CXCR1 (0.69) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL576873 1.00 CXCR1 (0.69) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL9086058 1.00 CXCR1 (0.69) CXCR1CXCR2PTGS2PTGS1LMNA
Water SCHEMBL11489033 0.98 CXCR1 (0.67) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL9111108 0.87 PTGS2 (0.68) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL16375965 0.86 PTGS2 (0.66) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL17464177 0.86 PTGS2 (0.66) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL12896272 0.86 PTGS2 (0.66) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL24858354 0.84 CXCR1 (0.58) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL2944919 0.84 PTGS2 (0.64) CXCR1CXCR2PTGS2PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120128588-A1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME RIKEN (JP) 2012-05-24 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-20120128588-A1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME CYP2F1, PTGS2, PTGER2 CXCR1 1903/4885CXCR2 818/4885PTGS2 2/4885

“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.