SCHEMBL4943889

SCHEMBL4943889

CCCCCCOc1ccc(C(=O)O)cc1C=O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
PTPN11 Q06124 2/20 0.61
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 3/20 0.57
PLA2G2D Q9UNK4 1/20 0.57
PLA2G2A P14555 1/20 0.55
RARB P10826 3/20 0.55
LTB4R Q15722 1/20 0.53
PLA2G4A P47712 1/20 0.52

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
SCHEMBL3431580 1.00 ALDH1A1 (0.63) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL4946388 0.98 ALDH1A1 (0.60) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL4944488 0.95 ALDH1A1 (0.57) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL3431544 0.93 ALDH1A1 (0.54) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL4945100 0.91 KMT2A (0.53) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL21828892 0.86 TSHR (0.62) TSHR
SCHEMBL1199847 0.84 ALDH1A1 (0.69) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL1201602 0.84 ALDH1A1 (0.69) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL1231278 0.84 ALDH1A1 (0.69) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL1200986 0.84 ALDH1A1 (0.69) ALDH1A1HPGDPTPN11TP53TSHR

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-8246971-B2 Compositions containing aromatic aldehydes and their use in treatment SKINMEDICA, INC. (US) 2012-08-21 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-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 286/4885PTPN11 2889/4885
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885PTPN11 2889/4885
US-20120190753-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885PTPN11 2889/4885
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885PTPN11 2889/4885
US-20120157546-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885PTPN11 2889/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885PTPN11 2889/4885
US-20080004354-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENT TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 272/4885PTPN11 2854/4885
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885HPGD 286/4885PTPN11 2889/4885

“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.