SCHEMBL15043595

SCHEMBL15043595

CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(C)C=C[C@]2(C)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.48
APBA1 Q02410 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CNR2 P34972 6/20 0.43
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
MGLL Q99685 2/20 0.38
FAAH O00519 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL21441627 0.89 CACNA1B (0.50) CACNA1BAPBA1SMN1; SMN2CNR2CNR1
SCHEMBL15444037 0.89 CACNA1B (0.50) CACNA1BAPBA1SMN1; SMN2CNR2CNR1
SCHEMBL15043597 0.89 CACNA1B (0.50) CACNA1BAPBA1SMN1; SMN2CNR2CNR1
SCHEMBL24728884 0.82 CACNA1B (0.44) CACNA1BAPBA1SMN1; SMN2CNR2CNR1
SCHEMBL19857280 0.82 CACNA1B (0.44) CACNA1BAPBA1SMN1; SMN2CNR2CNR1
SCHEMBL15043612 0.82 CACNA1B (0.53) CACNA1BAPBA1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL15043607 0.81 CACNA1B (0.49) CACNA1BAPBA1SMN1; SMN2CNR2ALDH1A1
SCHEMBL31722261 0.79 PTGS1 (0.50) CACNA1BAPBA1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL15431833 0.78 CACNA1B (0.46) CACNA1BAPBA1ALDH1A1HSD17B10LMNA
SCHEMBL15043600 0.77 KDM4E (0.49) CACNA1BAPBA1SMN1; SMN2ALDH1A1HSD17B10

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-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 1172/4885SMN1; SMN2 973/4885

“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.