SCHEMBL4965543

SCHEMBL4965543

C=C1C=CC(=O)N1CC1CCC(C(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL181744 0.91 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL45664 0.91 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL5578691 0.88 ALDH1A1 (0.31) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28102949 0.86 BACE1 (0.36) ALDH1A1CYP1A2HPGDCYP2C19BLM
Carbimide SCHEMBL28226102 0.85 ALDH1A1 (0.31) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL20445863 0.83 ALDH1A1 (0.33) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL18294898 0.83 LMNA (0.37) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL18294901 0.83 LMNA (0.37) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28349186 0.82 ALDH1A1 (0.31) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL9892471 0.82 HTR1A (0.33)

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-20120123065-A1 Hydrolytically Stable Maleimide-Terminated Polymers NEKTAR THERAPEUTICS (US) 2012-05-17 US disclosed
US-20070027310-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2007-02-01 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-20070027310-A1 Novel ligands and methods for preparing same ADGRF1, ADGRE5, TACR2 ALDH1A1 1509/4885CYP1A2 2727/4885HPGD 2251/4885

“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.