SCHEMBL5329563

SCHEMBL5329563

CN(C)C(=O)CCCC=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA4 P43681 1/20 0.47
HIF1A Q16665 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.35
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
HTT P42858 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
Hydrochloric Acid SCHEMBL27936402 0.98 ALDH1A1 (0.54) ALDH1A1CHRNB2CHRNB4CHRNA4HIF1A
SCHEMBL2077373 0.93 ALDH1A1 (0.54) ALDH1A1CHRNB2CHRNB4CHRNA4HIF1A
SCHEMBL28774714 0.91 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNB4CHRNA4HIF1A
Hydrochloric Acid SCHEMBL8975960 0.89 ALDH1A1 (0.50) ALDH1A1CHRNB2CHRNB4CHRNA4HIF1A
SCHEMBL15216471 0.86 FAAH (0.50) ALDH1A1MAPTLMNAFAAHTRPV1
SCHEMBL4721832 0.85
SCHEMBL9707391 0.84 ALOX5 (0.43) ALDH1A1HIF1ATSHRMAPTLMNA
SCHEMBL23505875 0.80 CNR1 (0.42) ALDH1A1HIF1ATSHRMAPTLMNA
SCHEMBL3113047 0.79 ALDH1A1 (0.54) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL5948495 0.79 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050672-A1 CATIONIC LIPID COMPOUNDS TRANSLATE BIO, INC. 2023-02-16 US disclosed
WO-2019055978-A1 POLYOLEFIN DISPERSANTS AND METHODS OF MAKING AND USING THEREOF CHEVRON ORONITE COMPANY LLC (US) 2019-03-21 WO disclosed
WO-2007142431-A1 NEW NON-PEPTIDE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2007-12-13 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-20230050672-A1 CATIONIC LIPID COMPOUNDS NPC1L1, NPC1, APMAP ALDH1A1 3785/4885CHRNB2 3848/4885CHRNB4 4218/4885

“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.