SCHEMBL20021318

SCHEMBL20021318

CCCCCC(C)C1CC(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRBN Q96SW2 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
DDB1 Q16531 1/20 0.34
CCR2 P41597 1/20 0.34
PRKCD Q05655 4/20 0.33
MAP3K14 Q99558 1/20 0.33
GLA P06280 1/20 0.33
ACE P12821 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
OPRM1 P35372 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
SCHEMBL6077962 0.98 ALDH1A1 (0.41) NPC1ALDH1A1L3MBTL1CRBNKMT2A
SCHEMBL5617415 0.98 ALDH1A1 (0.41) NPC1ALDH1A1L3MBTL1CRBNKMT2A
SCHEMBL22085274 0.98 ALDH1A1 (0.41) NPC1ALDH1A1L3MBTL1CRBNKMT2A
SCHEMBL27727578 0.98 ALDH1A1 (0.41) NPC1ALDH1A1L3MBTL1CRBNKMT2A
SCHEMBL6078384 0.98 ALDH1A1 (0.41) NPC1ALDH1A1L3MBTL1CRBNKMT2A
SCHEMBL6079243 0.98 ALDH1A1 (0.41) NPC1ALDH1A1L3MBTL1CRBNKMT2A
SCHEMBL20031168 0.95 NPC1 (0.41) NPC1ALDH1A1L3MBTL1CRBNKMT2A
SCHEMBL23436811 0.83 ALDH1A1 (0.42) NPC1ALDH1A1L3MBTL1CRBNKMT2A
SCHEMBL20126492 0.83 ALDH1A1 (0.42) NPC1ALDH1A1L3MBTL1CRBNKMT2A
SCHEMBL19157284 0.83 ALDH1A1 (0.42) NPC1ALDH1A1L3MBTL1CRBNKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330248-A1 ANTIBODY-DRUG CONJUGATE INCLUDING NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 US disclosed
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-03 US disclosed
US-20220008549-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-01-13 US disclosed
US-20200345861-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES BLUE OWL OPPORTUNISTIC MASTER FUND I, L.P. (FORMERLY KNOWN AS OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P.) 2020-11-05 US disclosed
US-20180092985-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES MEDIMMUNE LIMITED (GB) 2018-04-05 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 (5 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-20200345861-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES CD79B, BCL6B, BCL6 NPC1 3743/4885ALDH1A1 3769/4885L3MBTL1 959/4885
US-20220008549-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF STING1, CGAS, TLR9 NPC1 1319/4885ALDH1A1 4336/4885L3MBTL1 3508/4885
US-20230330248-A1 ANTIBODY-DRUG CONJUGATE INCLUDING NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE STING1, CGAS, TLR9 NPC1 1292/4885ALDH1A1 3436/4885L3MBTL1 3235/4885
US-20180092985-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES SBDS, DCTD, DRD1 NPC1 3503/4885ALDH1A1 442/4885L3MBTL1 1483/4885
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates CD79B, BCL6B, BCL6 NPC1 3743/4885ALDH1A1 3769/4885L3MBTL1 959/4885

“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.