SCHEMBL4713770

SCHEMBL4713770

CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(=O)Nc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP19A1 P11511 1/20 0.47
POLB P06746 1/20 0.47
GALR3 O60755 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EGFR P00533 1/20 0.42
NAMPT P43490 1/20 0.41
CHRNA7 P36544 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
STAT3 P40763 1/20 0.40

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
SCHEMBL27756507 1.00 BCHE (0.56) BCHESMN1; SMN2LMNAALDH1A1CYP19A1
SCHEMBL27756497 0.86 LMNA (0.57) SMN1; SMN2LMNAALDH1A1NPC1HPGD
SCHEMBL4716683 0.86 LMNA (0.57) SMN1; SMN2LMNAALDH1A1NPC1HPGD
SCHEMBL28775426 0.81 PTPN1 (0.59) BCHEPOLBGALR3HSP90AA1
SCHEMBL14273826 0.81 PTPN1 (0.59) BCHEPOLBGALR3HSP90AA1
SCHEMBL4762323 0.81 PTPN1 (0.59) BCHEPOLBGALR3HSP90AA1
SCHEMBL5241817 0.77 BCHE (0.59) BCHESMN1; SMN2LMNAALDH1A1POLB
SCHEMBL4762125 0.77 GAA (0.45) SMN1; SMN2LMNAALDH1A1POLBPKM
SCHEMBL15432250 0.76 BCHE (0.66) BCHESMN1; SMN2LMNAALDH1A1POLB
SCHEMBL10360638 0.76 SMN1; SMN2 (0.52) BCHESMN1; SMN2LMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101404985-A Autoimmune conditions and NADPH oxidase defects BIOVITRUM AB PUBL (SE) 2009-04-08 CN disclosed
EP-2004159-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS Biovitrum AB (publ) (SE) 2008-12-24 EP disclosed
US-20080051451-A1 Autoimmune conditions and NADPH oxidase defects BIOVITRUM AB (SE) 2008-02-28 US disclosed
US-20080051451-A1 Autoimmune conditions and NADPH oxidase defects BIOVITRUM AB (SE) 2008-02-28 US disclosed
WO-2007104790-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS BIOVITRUM AB (PUBL) (SE) 2007-09-20 WO disclosed
WO-2007104790-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS BIOVITRUM AB (PUBL) (SE) 2007-09-20 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-20080051451-A1 Autoimmune conditions and NADPH oxidase defects CYBB, NOX1, NOX5 BCHE 1515/4885SMN1; SMN2 3440/4885LMNA 4180/4885

“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.