SCHEMBL4945239

SCHEMBL4945239

Cc1c(CC(=O)O)cccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.44
PTGS2 P35354 1/20 0.43
PTGS1 P23219 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
CD274 Q9NZQ7 6/20 0.41
PDCD1 Q15116 1/20 0.41
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
MMP16 P51512 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
EPHX1 P07099 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL4941492 0.80 MMP2 (0.58) PTGS2PTGS1SUCNR1CD274PDCD1
SCHEMBL4941499 0.76 CD274 (0.53) PTGS2PTGS1SUCNR1CD274PDCD1
SCHEMBL2506528 0.75 SRD5A2 (0.46) PREPPTGS1
SCHEMBL18728074 0.75 CD274 (0.54) PREPCD274PDCD1EPHX1
SCHEMBL23927654 0.74 PREP (0.48) PREPFFAR1FFAR4
SCHEMBL7236135 0.74 PREP (0.40) PREPCD274
SCHEMBL1679519 0.74 CYP2C19 (0.37) PREPCD274PDCD1MMP2MMP9
SCHEMBL23512476 0.73 CD274 (0.50) PTGS2PTGS1SUCNR1CD274PDCD1
SCHEMBL12577822 0.72 CD274 (0.42) PREPCD274PDCD1FFAR1
SCHEMBL15876183 0.71 HSD17B10 (0.43) PREPPTGS1MMP2MMP12MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP 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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 PREP 4155/4885PTGS2 3493/4885PTGS1 3614/4885

“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.