SCHEMBL14569702

SCHEMBL14569702

CC(CCCCCCN(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
LTA4H P09960 1/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
GABRR1 P24046 2/20 0.45
CYP1A2 P05177 1/20 0.45
TBXAS1 P24557 2/20 0.42
KDM4A O75164 11/20 0.42
KDM4C Q9H3R0 11/20 0.42
KDM5A P29375 1/20 0.42
KDM7A Q6ZMT4 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42

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
SCHEMBL8213505 1.00 ACE2 (0.50) ACE2LTA4HBLMALDH1A1TSHR
SCHEMBL14610975 1.00 ACE2 (0.50) ACE2LTA4HBLMALDH1A1TSHR
SCHEMBL8062393 0.98 LTA4H (0.50) ACE2LTA4HBLMALDH1A1TSHR
SCHEMBL25468996 0.98 LTA4H (0.50) ACE2LTA4HBLMALDH1A1TSHR
SCHEMBL8588686 0.91 BLM (0.52) ACE2LTA4HBLMALDH1A1TSHR
SCHEMBL13368999 0.91 BLM (0.52) ACE2LTA4HBLMALDH1A1TSHR
SCHEMBL5977939 0.84 ACE2 (0.64) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL31073666 0.84 ACE2 (0.64) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL20612872 0.84 ACE2 (0.64) ACE2LTA4HBLMGABRR1CYP1A2
SCHEMBL9001608 0.84 ACE2 (0.64) ACE2LTA4HBLMGABRR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ACE2 3664/4885LTA4H 12/4885BLM 4858/4885

“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.