SCHEMBL3430867

SCHEMBL3430867

CC(C)(C)c1ccc(O)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TYR P14679 4/20 0.50
ALOX15 P16050 3/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NR1I2 O75469 1/20 0.50
MIF P14174 1/20 0.50
HTT P42858 1/20 0.50
NFE2L2 Q16236 1/20 0.50
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 3/20 0.38
ATP2A2 P16615 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATP2A3 Q93084 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38

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
SCHEMBL3433495 0.84 TYR (0.55) ALDH1A1TYRALOX15LMNACYP2C9
Water SCHEMBL8605007 0.82 ALDH1A1 (0.53) ALDH1A1TYRALOX15LMNACYP2C9
Water SCHEMBL8605013 0.82 ALDH1A1 (0.53) ALDH1A1TYRALOX15LMNACYP2C9
SCHEMBL28829670 0.80 ALDH1A1 (0.50) ALDH1A1TYRALOX15LMNACYP2C9
SCHEMBL30972491 0.78 ALDH1A1 (0.39) ALDH1A1TYRHSD17B10TRIM24TRIM33
SCHEMBL1798644 0.78 MAPT (0.42) ALDH1A1TYRALOX15LMNAHSD17B10
SCHEMBL15130526 0.78 SRC (0.44) ALDH1A1TYRLMNAMAPTKDM4E
SCHEMBL30222051 0.76 ERN1 (0.47) ALDH1A1TYRALOX15LMNACYP2C9
SCHEMBL25532591 0.76 ALDH1A1 (0.42) ALDH1A1HTTNFE2L2MAPTKDM4E
SCHEMBL207854 0.76 ERN1 (0.47) ALDH1A1TYRALOX15LMNACYP2C9

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 ALDH1A1 7/4885TYR 1/4885ALOX15 48/4885

“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.