SCHEMBL11956580

SCHEMBL11956580

C=C(O)C(C)CCC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.56
CYP1A2 P05177 1/20 0.56
BLM P54132 1/20 0.48
ACE2 Q9BYF1 1/20 0.45
LTA4H P09960 1/20 0.43
TP53 P04637 1/20 0.38
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
ENPEP Q07075 2/20 0.38
SLC7A5 Q01650 1/20 0.38
TET2 Q6N021 3/20 0.37
TET3 O43151 1/20 0.37
TET1 Q8NFU7 1/20 0.37

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
SCHEMBL5139179 0.85 GABRR1 (0.72) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL20495916 0.80 BLM (0.39) GABRR1CYP1A2BLM
SCHEMBL10376563 0.79 CYP1A2 (0.65) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL9190094 0.78 GABRR1 (0.33) GABRR1CYP1A2
SCHEMBL297723 0.78
SCHEMBL9816427 0.77 CYP1A2 (0.62) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL29951198 0.77 CYP1A2 (0.62) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL29957798 0.77 CYP1A2 (0.62) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL233225 0.77 BLM (0.73) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL580558 0.77 BLM (0.65) GABRR1CYP1A2BLMACE2LTA4H

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-20120195929-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-08-02 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-20120195929-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME HLA-DRB1, MICA, CD74 GABRR1 1830/4885CYP1A2 3652/4885BLM 3647/4885

“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.