SCHEMBL8813286

SCHEMBL8813286

CC(C)Cc1ccc(C(CI)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.71
PTGS2 P35354 4/20 0.71
ALOX5 P09917 3/20 0.64
LMNA P02545 2/20 0.64
CYP2C9 P11712 2/20 0.64
AKR1C3 P42330 2/20 0.64
CXCR1 P25024 2/20 0.64
CXCR2 P25025 2/20 0.64
ALB P02768 1/20 0.64
ESR1 P03372 1/20 0.64
RARB P10826 1/20 0.64
ADRB3 P13945 1/20 0.64
NFKB1 P19838 1/20 0.64
HTR2A P28223 1/20 0.64
NR1I3 Q14994 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
CXCL8 P10145 1/20 0.64
TSHR P16473 1/20 0.64
AKR1C2 P52895 1/20 0.64
BLM P54132 1/20 0.64

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
Butibufen SCHEMBL7346774 0.84 PTGS1 (0.73) PTGS1PTGS2ALOX5LMNACYP2C9
Butibufen SCHEMBL24177 0.84 PTGS1 (0.73) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL9305042 0.83 PTGS1 (0.71) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL27810577 0.83 PTGS1 (1.00) PTGS1PTGS2ALOX5LMNACYP2C9
Butibufen SCHEMBL1605646 0.83 PTGS1 (0.71) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL27810576 0.83 PTGS1 (1.00) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL9474541 0.83 PTGS1 (0.71) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL8814074 0.82 ESR1 (0.60) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL27934588 0.81 PTGS1 (0.69) PTGS1PTGS2ALOX5LMNACYP2C9
Ibuprofen SCHEMBL19439560 0.78 PTGS1 (1.00) PTGS1PTGS2ALOX5LMNACYP2C9

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 PTGS1 5/4885PTGS2 2/4885ALOX5 78/4885

“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.