SCHEMBL8263369

SCHEMBL8263369

COCCCOCc1cc(CO)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
PTGS2 P35354 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CALM1 P0DP23 2/20 0.35
TACR1 P25103 2/20 0.34
GAA P10253 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL12135859 0.90 DAO (0.40) DAOPTGS2TDP1L3MBTL1GRIN2D
SCHEMBL90337 0.90 DAO (0.41) DAOPTGS2GRIN2DGRIN3BGRIN1
SCHEMBL13490783 0.85 PTGS2 (0.38) PTGS2TDP1L3MBTL1GRIN2DGRIN3B
SCHEMBL13490850 0.84 TDP1 (0.37) PTGS2TDP1L3MBTL1GRIN2DGRIN3B
SCHEMBL8262777 0.84 TDP1 (0.37) PTGS2TDP1L3MBTL1GRIN2DGRIN3B
SCHEMBL4603109 0.82 TACR1 (0.50) PTGS2TDP1L3MBTL1CALM1TACR1
SCHEMBL1621038 0.82 APP (0.42) DAOPTGS2GRIN2DGRIN3BGRIN1
SCHEMBL90334 0.81 CNR1 (0.40) DAOPTGS2AKR1B1
SCHEMBL1620230 0.81 GRIN2D (0.47) DAOPTGS2GRIN2DGRIN3BGRIN1
SCHEMBL4603106 0.81 TDP1 (0.37) PTGS2TDP1L3MBTL1CALM1TACR1

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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 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 (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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE DAO 325/4885PTGS2 521/4885TDP1 2220/4885

“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.