SCHEMBL4054834

SCHEMBL4054834

CCCCCc1ccoc(=O)c1CCCCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
TYMP P19971 3/20 0.38
CTRC Q99895 1/20 0.38
TYR P14679 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4941765 0.83 KDM4E (0.35) TYMPCTRCHCAR2KDM4EMAPK1
SCHEMBL1936139 0.77 ALDH1A1 (0.42) TYRKDM4ELIPGMAPT
SCHEMBL22202362 0.77 PPARA (0.45) KDM4EMAPT
SCHEMBL7983997 0.76 LIPG (0.44) CTRCNR1H2NR1H3LIPGMAPT
SCHEMBL16976744 0.76 ALDH1A1 (0.45) TYRKDM4ELIPGMAPT
SCHEMBL11776421 0.75 LIPG (0.47) NR1H2NR1H3LIPGMAPT
SCHEMBL31230428 0.74 TYR (0.53) TYMPCTRCTYRKDM4ELIPG
SCHEMBL1133572 0.74 TYR (0.53) TYMPCTRCTYRKDM4ELIPG
Bromide SCHEMBL29257750 0.74 LIPG (0.46) NR1H2NR1H3LIPGMAPT
SCHEMBL27823063 0.73 LIPG (0.40) CTRCTYRKDM4ELIPGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same ENGLEBIENNE & ASSOCIATES (BE) 2009-08-06 US disclosed
US-7521435-B2 Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same PHARMA DIAGNOSTICS, N.V. (BE) 2009-04-21 US disclosed
US-20060258619-A1 Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same PHARMA DIAGNOSTICS N.V. (BE) 2006-11-16 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 (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-20060258619-A1 Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same PTGS2, PTGES2, PTGS1 SRC 1166/4885TYMP 515/4885CTRC 1772/4885
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same PTGS2, PTGES2, PTGS1 SRC 1166/4885TYMP 515/4885CTRC 1772/4885

“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.