SCHEMBL12949166

SCHEMBL12949166

CCN(CC)c1ccc2nc3c4cc(OCC(=O)NC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)COCCC(=O)OC(C)(C)C)ccc4c(=O)cc-3oc2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCP2 P22307 1/20 0.62
GPR84 Q9NQS5 10/20 0.51
POLB P06746 3/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13881978 0.92 SCP2 (0.72) SCP2GPR84POLBMEN1NPC1
SCHEMBL12946584 0.85 SCP2 (0.57) SCP2GPR84POLBMEN1NPC1
SCHEMBL12949057 0.84 SCP2 (0.57) SCP2GPR84POLBMEN1NPC1
SCHEMBL23407860 0.81 SCP2 (0.57) SCP2GPR84POLBMEN1NPC1
SCHEMBL26434988 0.80 SCP2 (0.75) SCP2GPR84POLBMEN1NPC1
SCHEMBL23407835 0.80 SCP2 (0.51) SCP2GPR84POLBMEN1NPC1
SCHEMBL16327768 0.80 SCP2 (0.49) SCP2GPR84POLBMEN1NPC1
SCHEMBL26434823 0.79 SCP2 (0.76) SCP2GPR84POLBMEN1NPC1
SCHEMBL3501312 0.79 SCP2 (0.82) SCP2GPR84POLBMEN1NPC1
SCHEMBL13881728 0.79 SCP2 (0.49) SCP2GPR84POLBMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110014216-A1 Drug Transfer Based on Coenzyme A and Acyl Carrier Protein COVALYS BIOSCIENCES AG (CH) 2011-01-20 US disclosed
US-20110014196-A1 Drug Transfer into Living Cells COVALYS BIOSCIENCES AG (CH) 2011-01-20 US disclosed
WO-2009043899-A1 DRUG TRANSFER INTO LIVING CELLS COVALYS BIOSCIENCES AG (CH) 2009-04-09 WO disclosed
WO-2009043900-A1 DRUG TRANSFER BASED ON COENZYME A AND ACYL CARRIER PROTEIN COVALYS BIOSCIENCES AG (CH) 2009-04-09 WO 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 (2 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-20110014196-A1 Drug Transfer into Living Cells TSPO, MPI, ABCB1 SCP2 789/4885GPR84 1274/4885POLB 3741/4885
US-20110014216-A1 Drug Transfer Based on Coenzyme A and Acyl Carrier Protein COASY, ACAT2, ACAT1 SCP2 71/4885GPR84 735/4885POLB 4629/4885

“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.