SCHEMBL4183111

SCHEMBL4183111

COC(=O)COc1ccc(C=C2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
LMNA P02545 5/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 7/20 0.37
MAPT P10636 6/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
IGF1R P08069 1/20 0.35
TSHR P16473 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
SCHEMBL4183110 1.00 KDM4E (0.41) KDM4ELMNACYP2C9ALDH1A1MAPT
SCHEMBL4182866 0.89 KDM4E (0.46) KDM4ELMNACYP2C9ALDH1A1MAPT
SCHEMBL4182864 0.89 KDM4E (0.46) KDM4ELMNACYP2C9ALDH1A1MAPT
SCHEMBL4182871 0.89 KDM4E (0.46) KDM4ELMNACYP2C9ALDH1A1MAPT
SCHEMBL4197695 0.88 ALDH1A1 (0.43) LMNAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4197694 0.88 ALDH1A1 (0.43) LMNAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL13982049 0.83 KDM4E (0.39) KDM4ELMNACYP2C9ALDH1A1MAPT
SCHEMBL4189717 0.82 ESR2 (0.42) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL4189714 0.82 ESR2 (0.42) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL13927928 0.82 KDM4E (0.39) KDM4ELMNACYP2C9ALDH1A1MAPT

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 KDM4E 3317/4885LMNA 1414/4885CYP2C9 164/4885

“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.