SCHEMBL1752676

SCHEMBL1752676

CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(I)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.77
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 1/20 0.61
JAK2 O60674 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
USP30 Q70CQ3 1/20 0.52
PABPC1 P11940 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
EP300 Q09472 1/20 0.49
CREBBP Q92793 1/20 0.49

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
SCHEMBL17474788 0.90 NPC1 (0.80) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL17474759 0.90 NPC1 (0.80) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL23373363 0.89 NPC1 (0.79) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL78329 0.88 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL3833819 0.88 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL10092397 0.88 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL31188356 0.88 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL2389717 0.88 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL2525285 0.88 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL2709011 0.87 NPC1 (0.83) NPC1MEN1KMT2ANPSR1LMNA

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-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US disclosed
EP-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 EP disclosed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 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 (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-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 NPC1 704/4885MEN1 2135/4885KMT2A 4634/4885

“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.