SCHEMBL15043602

SCHEMBL15043602

C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(CCC(=O)ON3C(=O)CCC3=O)C(=O)[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.39
APBA1 Q02410 7/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 4/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PSMB8 P28062 2/20 0.32
GAA P10253 2/20 0.32
PSMB5 P28074 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL31212 0.86 KDM4E (0.34) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL913292 0.74 SMN1; SMN2 (0.38) ALDH1A1HPGDHTTHSD17B10KMT2A
SCHEMBL157545 0.72 PTGS1 (0.41) ALDH1A1MAPK1TP53HPGDHTT
SCHEMBL12309023 0.72 CYP2D6 (0.33) ALDH1A1KMT2AMEN1PSMB8GAA
SCHEMBL30357859 0.71 ALDH1A1 (0.51) ALDH1A1HPGDHTTRAB9AKMT2A
SCHEMBL21441627 0.70 CACNA1B (0.50) CACNA1BAPBA1ALDH1A1MAPK1TP53
SCHEMBL15043597 0.70 CACNA1B (0.50) CACNA1BAPBA1ALDH1A1MAPK1TP53
SCHEMBL31722261 0.69 PTGS1 (0.50) CACNA1BAPBA1ALDH1A1MAPK1TP53
SCHEMBL43576 0.69 PSMB8 (0.35) MAPK1HPGDLMNAATMKMT2A
Acetonitrile SCHEMBL6034850 0.69 HPGD (0.36) ALDH1A1MAPK1TP53HPGDHTT

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-8816062-B2 Maleimide-furanyl compounds that can be used in a general method for preparing maleimide-oligonucleotide derivatives UNIVERSITAT DE BARCELONA (ES) 2014-08-26 US disclosed
US-20130158248-A1 MALEIMIDE-FURANYL COMPOUNDS THAT CAN BE USED IN A GENERAL METHOD FOR PREPARING MALEIMIDE-OLIGONUCLEOTIDE DERIVATIVES UNIVERSITAT DE BARCELONA (ES) 2013-06-20 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-20130158248-A1 MALEIMIDE-FURANYL COMPOUNDS THAT CAN BE USED IN A GENERAL METHOD FOR PREPARING MALEIMIDE-OLIGONUCLEOTIDE DERIVATIVES NSUN2, POLL, NT5C3B CACNA1B 2908/4885APBA1 1172/4885ALDH1A1 4111/4885

“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.