SCHEMBL3432503

SCHEMBL3432503

CC(C(=O)O)c1c(O)cccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
TYR P14679 1/20 0.39
CYP19A1 P11511 1/20 0.38
IAPP P10997 1/20 0.38
PTGS2 P35354 4/20 0.37
NFKB1 P19838 1/20 0.37
CA4 P22748 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 4/20 0.36
PTGS1 P23219 3/20 0.36

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
SCHEMBL23352172 0.83 PTGS2 (0.45) CA1CA2TYRPTGS2NFKB1
SCHEMBL3432003 0.82 ERN1 (0.55) ERN1TRIM24TRIM33CA1CA2
SCHEMBL29956865 0.82 ERN1 (0.55) ERN1TRIM24TRIM33CA1CA2
Salicyladehyde SCHEMBL25208874 0.77 TRIM24 (0.69) ERN1TRIM24TRIM33CA1CA2
SCHEMBL1981753 0.76 ERN1 (0.48) ERN1TRIM24TRIM33CA1CA2
Salicyladehyde SCHEMBL28475111 0.74 TRIM24 (0.64) ERN1TRIM24TRIM33CA1CA2
SCHEMBL5843818 0.73 LMNA (0.44) TRIM24TRIM33PTGS2MAPTPTGS1
SCHEMBL29216343 0.72 PTGS2 (0.43) ERN1CA1CA2PTGS2CA12
SCHEMBL6754120 0.70 ALDH1A1 (0.42) ERN1TLR2TLR1TLR6MAPT
Salicyladehyde SCHEMBL5555583 0.70 TRIM24 (0.58) ERN1TRIM24TRIM33CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4587669-B2 2010-11-24 JP claimed
JP-2005509662-A 2005-04-14 JP claimed
EP-1443915-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES Cutanix Corporation (US) 2004-08-11 EP claimed
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 US claimed
WO-2003043621-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES CUTANIX CORPORATION (US) 2003-05-30 WO claimed
EP-1443915-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES Cutanix Corporation (US) 2004-08-11 EP disclosed
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 US disclosed
WO-2003043621-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES CUTANIX CORPORATION (US) 2003-05-30 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-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments TYR, HRH1, HRH2 ERN1 4830/4885TRIM24 3252/4885TRIM33 2340/4885

“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.