SCHEMBL12700451

SCHEMBL12700451

CCO/C=C(\C(=O)OCC)C(=O)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PTPN1 P18031 1/20 0.42
TSHR P16473 2/20 0.41
ABL1 P00519 1/20 0.41
F2 P00734 1/20 0.41
HPGD P15428 1/20 0.41
RIN1 Q13671 1/20 0.41

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
SCHEMBL12611178 1.00 CES2 (0.46) CES2CES1NPC1ALDH1A1MAPT
SCHEMBL12611175 1.00 CES2 (0.46) CES2CES1NPC1ALDH1A1MAPT
SCHEMBL7142528 0.82 CES2 (0.45) CES2CES1NPC1ALDH1A1MAPT
SCHEMBL12569238 0.82 CES2 (0.45) CES2CES1NPC1ALDH1A1MAPT
SCHEMBL7142525 0.82 CES2 (0.45) CES2CES1NPC1ALDH1A1MAPT
SCHEMBL986419 0.82 CES2 (0.59) CES2CES1NPC1ALDH1A1MAPT
SCHEMBL995358 0.77 ALDH1A1 (0.58) CES2CES1NPC1ALDH1A1MAPT
SCHEMBL995357 0.77 ALDH1A1 (0.58) CES2CES1NPC1ALDH1A1MAPT
SCHEMBL14934921 0.77 MAPT (0.58) CES2CES1NPC1ALDH1A1MAPT
SCHEMBL5263495 0.77 ALDH1A1 (0.58) CES2CES1NPC1ALDH1A1MAPT

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-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2014-01-16 US disclosed
WO-2012127214-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2012-09-27 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-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE NOX4, NOX1, CYBB CES2 2824/4885CES1 1782/4885NPC1 3998/4885

“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.