SCHEMBL3429449

SCHEMBL3429449

CCCc1ccc(O)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.46
HSD17B3 P37058 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SRC P12931 1/20 0.41
APP P05067 1/20 0.39
PRKCI P41743 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
TRIM24 O15164 1/20 0.37

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
SCHEMBL6899319 0.89 TYR (0.61) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL3432681 0.88 CYP3A4 (0.60) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL6898737 0.86 SRC (0.44) TYRHSD17B3MEN1TP53CYP3A4
SCHEMBL29951036 0.86 SRC (0.44) TYRHSD17B3MEN1TP53CYP3A4
SCHEMBL3429791 0.85 HSD17B3 (0.44) TYRHSD17B3MEN1TP53CYP3A4
Methyl Alcohol SCHEMBL27892221 0.84 HSD17B3 (0.43) TYRHSD17B3MEN1TP53CYP3A4
SCHEMBL13851929 0.79 SRC (0.59) MAPTTSHRTDP1SRCHPGD
SCHEMBL5530908 0.79 SRC (0.41) TYRMEN1ALOX5MAPTKMT2A
SCHEMBL17428997 0.78 ERN1 (0.48) MEN1TSHRKMT2ATDP1SRC
SCHEMBL17428942 0.78 SRC (0.41) MAPTHTTSRCPTPN1LMNA

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 6 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-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 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 TYR 1/4885HSD17B3 178/4885MEN1 4870/4885

“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.