SCHEMBL12894591

SCHEMBL12894591

CCOC(=O)/C(=C\C(=O)OCc1ccccc1)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.58
ALOX5 P09917 9/20 0.57
ALDH1A1 P00352 1/20 0.55
LTB4R Q15722 2/20 0.52
LTB4R2 Q9NPC1 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MAOB P27338 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL12894590 1.00 NR1H4 (0.58) NR1H4ALOX5ALDH1A1LTB4RLTB4R2
SCHEMBL5612012 0.85 KMT2A (0.49) NR1H4ALDH1A1L3MBTL1LMNA
SCHEMBL5612021 0.85 KMT2A (0.49) NR1H4ALDH1A1L3MBTL1LMNA
SCHEMBL5349028 0.81 NR1H4 (0.64) NR1H4ALOX5ALDH1A1LTB4RLTB4R2
SCHEMBL8235784 0.79 SMN1; SMN2 (0.50) ALDH1A1LMNA
SCHEMBL8242231 0.79 SMN1; SMN2 (0.50) ALDH1A1LMNA
SCHEMBL5300752 0.79 ALOX5 (0.61) NR1H4ALOX5ALDH1A1LTB4RLTB4R2
SCHEMBL1203178 0.78 ALOX5 (0.67) NR1H4ALOX5ALDH1A1LTB4RLTB4R2
SCHEMBL27619575 0.78 MEN1 (0.50) NR1H4ALDH1A1L3MBTL1
SCHEMBL28711047 0.77 ALDH1A1 (0.50) ALOX5ALDH1A1L3MBTL1LMNA

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-7879997-B2 Tumor necrosis factor-alpha converting enzyme inhibitors such as (2S,3R)-4-oxo-3-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]azetidine-2-carboxylic acid, useful for the treatment of diseases or conditions mediated by matrix Metalloproteinases and tumor necrosis factor-alpha SCHERING CORPORATION (US) 2011-02-01 US disclosed
US-20070191332-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-16 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 (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-20070191332-A1 Compounds for the treatment of inflammatory disorders TNF, MMP8, MPO NR1H4 349/4885ALOX5 536/4885ALDH1A1 724/4885

“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.