SCHEMBL4944819

SCHEMBL4944819

CCCCCC/C=C/CCCCCCCc1cccc(OC)c1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.53
ALOX5 P09917 2/20 0.52
PTGS2 P35354 2/20 0.52
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
MMP2 P08253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
ECE1 P42892 1/20 0.50
SGMS1 Q86VZ5 1/20 0.50
SGMS2 Q8NHU3 1/20 0.50
MUS81 Q96NY9 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
BID P55957 3/20 0.47
BCL2L1 Q07817 3/20 0.47
MCL1 Q07820 3/20 0.47
BAK1 Q16611 3/20 0.47
THRA P10827 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
SCHEMBL4944824 1.00 PPARA (0.53) PPARAALOX5PTGS2F7F3
SCHEMBL490157 0.93 PPARA (0.59) PPARAALOX5PTGS2BIDBCL2L1
SCHEMBL29580466 0.82 ALOX5 (0.55) PPARAALOX5PTGS2F7F3
SCHEMBL1527071 0.81 F7 (0.66) PPARAF7F3MMP2KDM4E
SCHEMBL1527070 0.81 F7 (0.66) PPARAF7F3MMP2KDM4E
SCHEMBL489067 0.81 PPARA (0.48) PPARAALOX5PTGS2F7F3
SCHEMBL22837454 0.80 ALDH1A1 (0.46) PPARAALOX5PTGS2
SCHEMBL27147047 0.80 PPARA (0.85) PPARAALOX5PTGS2F7F3
SCHEMBL489248 0.79 PPARA (0.47) PPARAALOX5PTGS2MAPTSAE1
SCHEMBL4142804 0.79 PPARA (0.67) PPARAALOX5PTGS2F7F3

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
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2018-06-21 US disclosed
US-9895361-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2018-02-20 US disclosed
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2016-06-30 US disclosed
US-9107874-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2015-08-18 US disclosed
US-8496951-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2013-07-30 US disclosed
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2013-02-07 US disclosed
US-8268336-B2 Compositions containing aromatic aldehydes and their use in treatments SKINMEDICA, INC. (US) 2012-09-18 US disclosed
US-8246969-B2 Use in cosmetics and as topical, transdermal or systemic antiinflammatory pharmaceuticals SKINMEDICA, INC. (US) 2012-08-21 US disclosed
US-8246971-B2 Compositions containing aromatic aldehydes and their use in treatment SKINMEDICA, INC. (US) 2012-08-21 US disclosed
US-20120190753-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments MERZ AESTHETICS, INC. (US) 2012-07-26 US disclosed
US-20120157546-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments MERZ AESTHETICS, INC. (US) 2012-06-21 US disclosed
US-20080004354-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENT CUTANIX CORPORATION 2008-01-03 US disclosed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 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 (7 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-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 PPARA 82/4885ALOX5 90/4885PTGS2 497/4885
US-20120190753-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 PPARA 82/4885ALOX5 90/4885PTGS2 497/4885
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 PPARA 82/4885ALOX5 90/4885PTGS2 497/4885
US-20120157546-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 PPARA 82/4885ALOX5 90/4885PTGS2 497/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 PPARA 82/4885ALOX5 90/4885PTGS2 497/4885
US-20080004354-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENT TYR, ALDH2, AOX1 PPARA 82/4885ALOX5 74/4885PTGS2 489/4885
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 PPARA 82/4885ALOX5 90/4885PTGS2 497/4885

“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.