SCHEMBL4714906

SCHEMBL4714906

CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(=O)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.43
EGFR P00533 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL27735913 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTLMNANPC1
SCHEMBL20595292 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTLMNANPC1
SCHEMBL529031 0.89 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTLMNANPC1
SCHEMBL16888113 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTLMNANPC1
SCHEMBL4760983 0.81 PTPN1 (0.64) SMN1; SMN2
SCHEMBL14273776 0.81 PTPN1 (0.64) SMN1; SMN2
SCHEMBL19900281 0.81 ALOX15 (0.56) ALDH1A1KMT2AMAPTLMNANPC1
SCHEMBL4716765 0.79 EGFR (0.39) ALDH1A1MAPTLMNANPC1EGFR
SCHEMBL3221436 0.79 TSHR (0.56) ALDH1A1LMNAEGFRTSHRHTT
SCHEMBL16377899 0.78 PKM (0.57) ALDH1A1KMT2AMAPTLMNANPC1

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 ALDH1A1 413/4885KMT2A 3330/4885MAPT 3853/4885

“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.