SCHEMBL5491732

SCHEMBL5491732

CCCC(O)c1ccc2c(c1)OCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.65
PTGS1 P23219 2/20 0.53
PTGS2 P35354 1/20 0.53
HSD17B10 Q99714 1/20 0.50
HPGD P15428 2/20 0.47
ATM Q13315 1/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8712770 0.90 AOC3 (0.53) AOC3HPGDCYP3A4CYP2D6HTT
SCHEMBL5493126 0.90 AOC3 (0.53) AOC3HPGDCYP3A4CYP2D6HTT
SCHEMBL11864310 0.88 AOC3 (0.67) AOC3PTGS1PTGS2HSD17B10HPGD
SCHEMBL3183717 0.86 AOC3 (0.60) AOC3PTGS1PTGS2HSD17B10HPGD
SCHEMBL5207237 0.85 AOC3 (0.59) AOC3PTGS1PTGS2HSD17B10HPGD
SCHEMBL8106604 0.84 AOC3 (0.56) AOC3PTGS1PTGS2HSD17B10HPGD
SCHEMBL530292 0.83 TAS1R3 (0.53) AOC3HPGDCYP3A4CYP2D6SMN1; SMN2
SCHEMBL18910395 0.83 PTGS1 (0.53) AOC3PTGS1PTGS2HSD17B10HPGD
SCHEMBL22785898 0.82 AOC3 (0.64) AOC3PTGS1PTGS2ATMPDE4A
SCHEMBL22785949 0.82 AOC3 (0.64) AOC3PTGS1PTGS2ATMPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073860-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 US disclosed
US-8580752-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTITIC AND INDUSTRIAL RESEARCH (IN) 2013-11-12 US disclosed
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-01-04 US disclosed
WO-2006103527-A1 AROMATIC SUBSTITUTED PENTADIENOIC ACID AMIDE FOR COMBINATION WITH ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-05 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 (2 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-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS DDC, APEH, AADAC AOC3 608/4885PTGS1 231/4885PTGS2 358/4885
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs DDC, APEH, AADAC AOC3 608/4885PTGS1 231/4885PTGS2 358/4885

“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.