SCHEMBL23901255

SCHEMBL23901255

CCC(=O)c1c(C(=O)C(C)C)nnn1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
HPGD P15428 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PTGS2 P35354 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
SCHEMBL23482676 0.90 NPC1 (0.33) NPC1POLBGAACASP1HPGD
SCHEMBL24064973 0.86 HPGD (0.36) NPC1HPGDHCAR3HCAR2
SCHEMBL22044444 0.82 NPC1 (0.34) NPC1PTGS2
SCHEMBL22044447 0.76 NPC1 (0.36) NPC1
SCHEMBL24837000 0.73 NPC1 (0.36) NPC1PTGS2
SCHEMBL24872432 0.72 NPC1 (0.34) NPC1PTGS2
SCHEMBL14262396 0.70 NPC1 (0.53) NPC1HPGDHCAR3HCAR2
SCHEMBL25024096 0.69 HPGD (0.32) HPGDHCAR3HCAR2
SCHEMBL20159610 0.68 HPGD (0.36) NPC1HPGDHCAR3HCAR2PTGS2
SCHEMBL23482739 0.67 NPC1 (0.39) NPC1HCAR3

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-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-07 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-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS CD2BP2, DCLRE1A, EPCAM NPC1 3147/4885POLB 4225/4885GAA 3026/4885

“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.