SCHEMBL3431682

SCHEMBL3431682

CC(C)(C)c1ccc(C=O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.57
KDM4E B2RXH2 2/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 7/20 0.52
AOX1 Q06278 1/20 0.52
ALOX15 P16050 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
ATP2A2 P16615 1/20 0.48
ATP2A3 Q93084 1/20 0.48
ALDH5A1 P51649 3/20 0.47
ABAT P80404 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
TRIM24 O15164 1/20 0.47
HPGD P15428 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
PTGS1 P23219 2/20 0.44
TSHR P16473 1/20 0.43
GABBR2 O75899 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
SCHEMBL2632511 0.84 PTGS2 (0.57) PTGS2KDM4ERAB9AALDH1A1AOX1
SCHEMBL30500661 0.84 PTGS2 (0.57) PTGS2KDM4ERAB9AALDH1A1AOX1
SCHEMBL17058722 0.82 PTGS2 (0.50) PTGS2KDM4ERAB9AALDH1A1AOX1
SCHEMBL31449906 0.82 KDM4E (0.50) PTGS2KDM4ERAB9AALDH1A1AOX1
SCHEMBL11328597 0.81 ALDH1A1 (0.42) PTGS2KDM4ERAB9AALDH1A1AOX1
SCHEMBL24445838 0.80 KDM4E (0.57) PTGS2KDM4ERAB9AALDH1A1AOX1
SCHEMBL30920089 0.80 ALDH1A1 (0.48) PTGS2KDM4ERAB9AALDH1A1ALOX15
SCHEMBL11410046 0.80 ALDH1A1 (0.48) PTGS2KDM4ERAB9AALDH1A1ALOX15
SCHEMBL19543117 0.78 ALDH1A1 (0.44) PTGS2KDM4ERAB9AALDH1A1AOX1
SCHEMBL30972491 0.78 ALDH1A1 (0.39) PTGS2KDM4ERAB9AALDH1A1AOX1

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 10 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
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
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
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (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-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments TYR, HRH1, HRH2 PTGS2 484/4885KDM4E 2158/4885RAB9A 4360/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 PTGS2 1974/4885KDM4E 2049/4885RAB9A 1505/4885

“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.