SCHEMBL4944488

SCHEMBL4944488

CCCCOc1ccc(C(=O)O)cc1C=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PTPN11 Q06124 2/20 0.56
PLA2G4B P0C869 5/20 0.55
RARB P10826 3/20 0.52
PLA2G2D Q9UNK4 1/20 0.52
PLA2G4A P47712 1/20 0.50

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
SCHEMBL3431544 0.97 ALDH1A1 (0.54) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL4946388 0.97 ALDH1A1 (0.60) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL3431580 0.95 ALDH1A1 (0.63) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL4943889 0.95 ALDH1A1 (0.63) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL4945100 0.92 KMT2A (0.53) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL21828892 0.88 TSHR (0.62) TSHR
SCHEMBL8322921 0.84 CYP1A2 (0.48) ALDH1A1HPGDTSHR
SCHEMBL4023882 0.84 POLB (0.64) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL8320882 0.82 GAA (0.42) ALDH1A1HPGDPTPN11
SCHEMBL17931010 0.81 WDR5 (0.63) ALDH1A1HPGDTP53TSHRPTPN11

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1589136-A Pharmaceutical and cosmetic compositions containing aromatic aldehydes bearing oxygen-containing groups CUTANIX CORP (US) 2005-03-02 CN claimed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
US-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2020-07-07 US disclosed
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
CN-102973417-A Pharmaceutical and cosmetic compositions containing oxy group-bearing aromatic aldehydes CUTANIX CORP 2013-03-20 CN 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
CN-1589136-A Pharmaceutical and cosmetic compositions containing aromatic aldehydes bearing oxygen-containing groups CUTANIX CORP (US) 2005-03-02 CN 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 (8 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-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885TP53 823/4885
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885TP53 823/4885
US-20120190753-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885TP53 823/4885
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885TP53 823/4885
US-20120157546-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885TP53 823/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885TP53 823/4885
US-20080004354-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENT TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 272/4885TP53 943/4885
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885TP53 823/4885

“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.