SCHEMBL5488283

SCHEMBL5488283

CCCCCC(C)(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CES2 O00748 5/20 0.37
CES1 P23141 4/20 0.37
AKR1B1 P15121 1/20 0.35
PPARG P37231 7/20 0.35
PPARA Q07869 2/20 0.35
TRPA1 O75762 1/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL7689221 0.78 ALDH1A1 (0.39) ALDH1A1CES2CES1AKR1B1PPARG
SCHEMBL5319006 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16669992 0.74 ALDH1A1 (0.36) ALDH1A1CES2CES1PPARGPPARA
SCHEMBL27848826 0.73 ALDH1A1 (0.44) ALDH1A1
SCHEMBL29004569 0.72 ALDH1A1 (0.38) ALDH1A1CES2CES1AKR1B1PPARG
SCHEMBL14167475 0.71 FDPS (0.43) ALDH1A1CES2CES1
SCHEMBL19389271 0.71 ALDH1A1 (0.43) ALDH1A1CES2
SCHEMBL11596859 0.71 FDPS (0.43) ALDH1A1CES2CES1
SCHEMBL29596855 0.71 ALDH1A1 (0.48) ALDH1A1CES2
SCHEMBL1117314 0.71 ALDH1A1 (0.39) ALDH1A1CES2CES1

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-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ALDH1A1 43/4885CES2 710/4885CES1 580/4885

“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.