SCHEMBL3429786

SCHEMBL3429786

CC(C)c1cc(C=O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
PTGS2 P35354 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 4/20 0.52
ALDH5A1 P51649 3/20 0.52
ABAT P80404 3/20 0.52
TRIM24 O15164 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
AOX1 Q06278 1/20 0.47
TYR P14679 2/20 0.47
HSP90AA1 P07900 3/20 0.44
HSP90AB1 P08238 3/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL14456529 0.86 RAB9A (0.55) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL3432659 0.84 KDM4E (0.57) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL29951527 0.84 KDM4E (0.57) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL13257341 0.83 KDM4E (0.61) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL18714281 0.83 KDM4E (0.61) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL7245766 0.83 ALDH1A1 (0.56) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL9231758 0.81 TYR (0.52) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL10269261 0.80 PTGS2 (0.48) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL31256694 0.80 KDM4E (0.57) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL685069 0.80 TRPA1 (0.52) ALDH1A1HPGDTDP1HSP90AA1HSP90AB1

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 15 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
EP-4175718-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 2023-05-10 EP disclosed
WO-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
CN-115397811-A Isoindoline derivatives that bind to ATP binding sites 奈奥芬莱有限公司 2022-11-25 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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

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 KDM4E 2158/4885PTGS2 484/4885RAB9A 4360/4885

“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.