SCHEMBL5435120

SCHEMBL5435120

C=CCC(C(=O)OCC)(C(=O)OCC)[C@H](C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 2/20 0.40
FBP1 P09467 3/20 0.38
PIN1 Q13526 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 2/20 0.36
MDM4 O15151 1/20 0.36
LMNA P02545 1/20 0.36
MDM2 Q00987 1/20 0.36
CYP1A2 P05177 1/20 0.36
OPRD1 P41143 1/20 0.35
MMP8 P22894 1/20 0.35
CPA1 P15085 3/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5429900 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTFBP1PIN1
SCHEMBL14359432 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTFBP1PIN1
SCHEMBL578529 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4MAPTFBP1PIN1
SCHEMBL5429907 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTCYP2C19LMNA
SCHEMBL14350851 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4FBP1PIN1MMP8
SCHEMBL14388561 0.79 MAPT (0.46) ALDH1A1CYP3A4MAPTPIN1MAPK1
SCHEMBL14338578 0.78 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPTFBP1PIN1
SCHEMBL14350805 0.78 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPTFBP1PIN1
SCHEMBL14338567 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTFBP1PIN1
SCHEMBL14338569 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTFBP1PIN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276145-A1 Method of Preparing a Ring Compound Having Two Adjacent Chiral Centers ICOS CORPORATION (US) 2007-11-29 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-20070276145-A1 Method of Preparing a Ring Compound Having Two Adjacent Chiral Centers NISCH, NDC1, SUCLG2 ALDH1A1 1567/4885CYP3A4 902/4885MAPT 3548/4885

“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.