SCHEMBL1879028

SCHEMBL1879028

CC(O)CCCCCCCCC(C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.55
BLM P54132 1/20 0.54
LTA4H P09960 1/20 0.53
GABRR1 P24046 2/20 0.50
CYP1A2 P05177 1/20 0.50
TBXAS1 P24557 2/20 0.46
GPR84 Q9NQS5 3/20 0.45
FFAR1 O14842 2/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 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
SCHEMBL1875958 1.00 ACE2 (0.55) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL13431069 0.93 BLM (0.61) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL5977939 0.90 ACE2 (0.64) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL20612872 0.90 ACE2 (0.64) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL9001608 0.90 ACE2 (0.64) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL31073666 0.90 ACE2 (0.64) ACE2BLMLTA4HGABRR1CYP1A2
Ammonia Solution, Strong SCHEMBL28565415 0.87 ACE2 (0.61) ACE2BLMLTA4HGABRR1CYP1A2
Ammonia Solution, Strong SCHEMBL28565414 0.87 ACE2 (0.61) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL16330413 0.87 BLM (0.65) ACE2BLMLTA4HGABRR1CYP1A2
SCHEMBL7179523 0.87 BLM (0.65) ACE2BLMLTA4HGABRR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105417-A1 Drug Conjugates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-05-05 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-20110105417-A1 Drug Conjugates ABCB1, SLCO2B1, ABCG2 ACE2 3440/4885BLM 3779/4885LTA4H 954/4885

“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.