SCHEMBL3431399

SCHEMBL3431399

CC(C)c1ccc(C=O)c(C(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
LMNA P02545 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2B P41595 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
BLM P54132 2/20 0.43
HIF1A Q16665 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
FAAH O00519 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2C P28335 1/20 0.43
GABRB3 P28472 1/20 0.43

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
SCHEMBL5697225 0.85 TYR (0.46) TYRLMNACA1CA2SLC6A2
SCHEMBL10910659 0.82 TYR (0.41) TYRLMNABLMTSHRALB
SCHEMBL10611980 0.77 GABRA1 (0.56) LMNACA1CA2SLC6A2HTR2B
SCHEMBL4072726 0.76 TYR (0.53) TYRCA1CA2ALBERN1
SCHEMBL310825 0.74 GABRA1 (0.61) TYRLMNACA1CA2SLC6A2
SCHEMBL16096543 0.74 TYR (0.52) TYRALBERN1TRIM24TRIM33
SCHEMBL10625737 0.74 TYR (0.39) TYRLMNASLC6A2HTR2BBLM
SCHEMBL14315408 0.74 ERN1 (0.42) TYRLMNACA1CA2CYP1A2
SCHEMBL3968286 0.74 GABRA1 (0.48) TYRLMNACA1CA2SLC6A2
SCHEMBL311765 0.73 TYR (0.46) TYRLMNACYP1A2CYP3A4HPGD

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 11 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

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 1/4885LMNA 3446/4885CA1 4354/4885

“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.