SCHEMBL3430982

SCHEMBL3430982

CCCCc1cc(C=O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
PTGS2 P35354 1/20 0.50
RAB9A P51151 1/20 0.50
TYR P14679 3/20 0.47
ALDH5A1 P51649 2/20 0.46
ABAT P80404 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TRIM24 O15164 1/20 0.46
HPGD P15428 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
IAPP P10997 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
AOX1 Q06278 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 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
SCHEMBL3432924 0.95 ALDH1A1 (0.49) ALDH1A1KDM4EPTGS2RAB9ATYR
SCHEMBL11503809 0.93 TYR (0.50) ALDH1A1KDM4EPTGS2RAB9ATYR
SCHEMBL3429484 0.89 KDM4E (0.53) ALDH1A1KDM4EPTGS2RAB9AALDH5A1
SCHEMBL7249367 0.86 TYR (0.61) ALDH1A1KDM4EPTGS2RAB9ATYR
SCHEMBL5080802 0.84 TYR (0.43) ALDH1A1KDM4EPTGS2RAB9ATYR
SCHEMBL5607630 0.83 PTGS2 (0.59) ALDH1A1KDM4EPTGS2RAB9AALDH5A1
SCHEMBL29954180 0.83 PTGS2 (0.59) ALDH1A1KDM4EPTGS2RAB9AALDH5A1
SCHEMBL5375049 0.83 TYR (0.47) RAB9ATYRTDP1HPGDIAPP
SCHEMBL9288196 0.81 CNR2 (0.53) PTGS2TYRTDP1IAPPMEN1
SCHEMBL6900940 0.81 TYR (0.60) ALDH1A1KDM4EPTGS2RAB9ATYR

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 14 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
CN-1589136-A Pharmaceutical and cosmetic compositions containing aromatic aldehydes bearing oxygen-containing groups CUTANIX CORP (US) 2005-03-02 CN 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
CN-102973417-A Pharmaceutical and cosmetic compositions containing oxy group-bearing aromatic aldehydes CUTANIX CORP 2013-03-20 CN disclosed
CN-1589136-A Pharmaceutical and cosmetic compositions containing aromatic aldehydes bearing oxygen-containing groups CUTANIX CORP (US) 2005-03-02 CN 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-4157286-A Production of 1,2-bis(hydroxyphenyl)ethane-1,2-diols by electrolytic reduction MONSANTO COMPANY (US) 1979-06-05 US disclosed
US-4133729-A Production of 1,2-bis(hydroxy-phenyl)ethane-1,2-diols by electrolytic reduction MONSANTO COMPANY (US) 1979-01-09 US disclosed
US-4087336-A Electrolytic reductive coupling of hydroxybenzaldehydes MONSANTO COMPANY (US) 1978-05-02 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-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments TYR, HRH1, HRH2 ALDH1A1 7/4885KDM4E 2158/4885PTGS2 484/4885

“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.