SCHEMBL6844305

SCHEMBL6844305

CCC(N)(N)C(=O)OC(=O)C(N)(N)CC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL681238 0.87 ALDH1A1 (0.41) ALDH1A1TDP1MEN1CYP1A2THRB
SCHEMBL6844307 0.82 ALDH1A1 (0.56) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL27991129 0.81
SCHEMBL4957127 0.81
SCHEMBL29116160 0.80 ALDH1A1 (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL29116162 0.80
SCHEMBL21840420 0.79 TSHR (0.30)
SCHEMBL8489844 0.77 DGAT1 (0.43) ALDH1A1TDP1MEN1CYP1A2THRB
SCHEMBL16297377 0.76 ALDH1A1 (0.32) ALDH1A1TDP1FFAR3MEN1CYP1A2
SCHEMBL29280668 0.75

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-20040005708-A1 Polypeptide derivatives and nucleic acid carriers containing the same HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2004-01-08 US disclosed
EP-1285942-A1 POLYPEPTIDE DERIVATIVES AND NUCLEIC ACID CARRIERS CONTAINING THE SAME HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2003-02-26 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-20040005708-A1 Polypeptide derivatives and nucleic acid carriers containing the same POLRMT, TAP1, RNASE1 ALDH1A1 1107/4885TDP1 30/4885FFAR3 3972/4885

“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.