SCHEMBL4945100

SCHEMBL4945100

CCCOc1ccc(C(=O)O)cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
PTPN11 Q06124 2/20 0.50
CREBBP Q92793 1/20 0.50
POLB P06746 2/20 0.49
CASP6 P55212 1/20 0.49
TSHR P16473 2/20 0.49
PLA2G2D Q9UNK4 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
TP53 P04637 1/20 0.46
PLA2G4B P0C869 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45

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 0.96 ALDH1A1 (0.54) KMT2AALDH1A1HPGDPTPN11TSHR
SCHEMBL4946388 0.92 ALDH1A1 (0.60) ALDH1A1HPGDPTPN11TSHRPLA2G2D
SCHEMBL4944488 0.92 ALDH1A1 (0.57) ALDH1A1HPGDPTPN11TSHRPLA2G2D
SCHEMBL4943889 0.91 ALDH1A1 (0.63) ALDH1A1HPGDPTPN11TSHRPLA2G2D
SCHEMBL3431580 0.91 ALDH1A1 (0.63) ALDH1A1HPGDPTPN11TSHRPLA2G2D
SCHEMBL21828892 0.89 TSHR (0.62) CREBBPPOLBCASP6TSHRPTGDR2
SCHEMBL566516 0.83 POLB (0.66) KMT2AALDH1A1HPGDPTPN11CREBBP
SCHEMBL1987664 0.82 CA12 (0.67) ALDH1A1TSHRKDM4ECA12CA1
SCHEMBL29956605 0.82 CA12 (0.67) ALDH1A1TSHRKDM4ECA12CA1
SCHEMBL12492247 0.81 THRA (0.56) KMT2AALDH1A1HPGDPTPN11CREBBP

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 15 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-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
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
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 KMT2A 2677/4885ALDH1A1 4/4885HPGD 286/4885
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 KMT2A 2677/4885ALDH1A1 4/4885HPGD 286/4885
US-20120190753-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 KMT2A 2677/4885ALDH1A1 4/4885HPGD 286/4885
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 KMT2A 2677/4885ALDH1A1 4/4885HPGD 286/4885
US-20120157546-A1 Compositions Containing Aromatic Aldehydes and Their Use in Treatments TYR, ALDH2, AOX1 KMT2A 2677/4885ALDH1A1 4/4885HPGD 286/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 KMT2A 2677/4885ALDH1A1 4/4885HPGD 286/4885
US-20080004354-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENT TYR, ALDH2, AOX1 KMT2A 2697/4885ALDH1A1 4/4885HPGD 272/4885
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 KMT2A 2677/4885ALDH1A1 4/4885HPGD 286/4885

“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.