SCHEMBL25919612

SCHEMBL25919612

CCC/C(=C\C=C/N)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
RECQL P46063 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL29275514 0.83 GRIK1 (0.36) CTSDALDH1A1HDAC3HDAC1HDAC2
SCHEMBL3357407 0.80 CTSD (0.38) CTSDALDH1A1HDAC3HDAC1HDAC2
SCHEMBL2946076 0.80 ALDH1A1 (0.39) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12156789 0.77 ALDH1A1 (0.33) CTSDALDH1A1HDAC3HDAC1HDAC2
SCHEMBL27781720 0.77 ALDH1A1 (0.33) CTSDALDH1A1HDAC3HDAC1HDAC2
SCHEMBL9410921 0.76 ALDH1A1 (0.39) CTSDALDH1A1HDAC3HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL28753786 0.74 ALDH1A1 (0.37) CTSDALDH1A1HDAC3HDAC1HDAC2
SCHEMBL27677179 0.74 ALDH1A1 (0.37) CTSDALDH1A1HDAC3HDAC1HDAC2
SCHEMBL2811489 0.72 ALDH1A1 (0.36) CTSDALDH1A1HDAC3HDAC1HDAC2
SCHEMBL13715425 0.72 ALDH1A1 (0.36) CTSDALDH1A1HDAC3HDAC1HDAC2

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-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. 2023-08-03 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-20230242558-A1 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF NAMPT, NNT, NAPRT CTSD 3357/4885ALDH1A1 1114/4885HDAC3 143/4885

“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.