SCHEMBL5752223

SCHEMBL5752223

Cc1ccccc1C=CC(=O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.54
HAO1 Q9UJM8 1/20 0.46
BACE1 P56817 6/20 0.46
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IAPP P10997 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NFKB1 P19838 1/20 0.41
CA4 P22748 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
SCHEMBL29634734 1.00 NFE2L2 (0.54) NFE2L2HAO1BACE1PTGER1PTGER4
SCHEMBL5752220 1.00 NFE2L2 (0.54) NFE2L2HAO1BACE1PTGER1PTGER4
SCHEMBL11550267 0.86 NFE2L2 (0.54) NFE2L2HAO1BACE1PTGER1PTGER4
SCHEMBL11550275 0.86 NFE2L2 (0.54) NFE2L2HAO1BACE1PTGER1PTGER4
SCHEMBL27832643 0.82 IAPP (0.60) NFE2L2BACE1PTGER1PTGER4PTGER3
SCHEMBL2476699 0.82 IAPP (0.60) NFE2L2BACE1PTGER1PTGER4PTGER3
SCHEMBL13287300 0.82 IAPP (0.60) NFE2L2BACE1PTGER1PTGER4PTGER3
SCHEMBL3362442 0.82 IAPP (0.60) NFE2L2BACE1PTGER1PTGER4PTGER3
SCHEMBL10986381 0.81 NFE2L2 (0.53) NFE2L2HAO1BACE1RAB9AALDH1A1
SCHEMBL10348522 0.81 NFKB1 (0.65) NFE2L2BACE1RAB9AALDH1A1KDM4E

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP NFE2L2 1599/4885HAO1 2928/4885BACE1 835/4885

“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.