SCHEMBL4189714

SCHEMBL4189714

CC(C)(C)OC(=O)N1CCC/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
GSK3B P49841 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
NR1H2 P55055 1/20 0.39
EGFR P00533 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
MAOB P27338 1/20 0.37
DYRK1A Q13627 1/20 0.37
CASP3 P42574 1/20 0.37
USP14 P54578 1/20 0.37

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
SCHEMBL4189717 1.00 ESR2 (0.42) ESR2ALDH5A1ABATMAPTKMT2A
SCHEMBL4197694 0.88 ALDH1A1 (0.43) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4197695 0.88 ALDH1A1 (0.43) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4184887 0.85 ALDH5A1 (0.47) ALDH5A1ABATMAPTKMT2AMEN1
SCHEMBL4184884 0.85 ALDH5A1 (0.47) ALDH5A1ABATMAPTKMT2AMEN1
SCHEMBL4184880 0.85 ALDH5A1 (0.47) ALDH5A1ABATMAPTKMT2AMEN1
SCHEMBL4183110 0.82 KDM4E (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4183111 0.82 KDM4E (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL21369533 0.78 ESR2 (0.43) ESR2MAPTKMT2AMEN1ALDH1A1
SCHEMBL5341385 0.78 ESR2 (0.43) ESR2MAPTKMT2AMEN1ALDH1A1

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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 ESR2 645/4885ALDH5A1 296/4885ABAT 240/4885

“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.