SCHEMBL1253501

SCHEMBL1253501

CCOc1c(C)cccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 4/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
SRC P12931 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCN4A P35499 3/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38

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
SCHEMBL3432512 0.87 ALDH1A1 (0.48) ALDH1A1TSHRCA1CA2HPGD
SCHEMBL15283055 0.86 ALDH1A1 (0.44) ALDH1A1TSHRCA1CA2HPGD
SCHEMBL2043979 0.82 PTPN1 (0.53) ALDH1A1TSHRCA1CA2HPGD
SCHEMBL28245498 0.82 ALDH1A1 (0.47) ALDH1A1TSHRCA1CA2HPGD
SCHEMBL181586 0.81 ALDH1A1 (0.50) ALDH1A1CA1CA2HPGDHTT
SCHEMBL14292801 0.81 CA1 (0.44) ALDH1A1TSHRCA1CA2HPGD
SCHEMBL29922833 0.81 ALDH1A1 (0.50) ALDH1A1CA1CA2HPGDHTT
SCHEMBL27754527 0.81 CA1 (0.44) ALDH1A1TSHRCA1CA2HPGD
SCHEMBL16956478 0.81 SCN4A (0.38) ALDH1A1TSHRHPGDLMNASCN4A
SCHEMBL16959995 0.81 SCN4A (0.38) ALDH1A1TSHRHPGDGAALMNA

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 34 patents — showing the first 20. 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
EP-1443915-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES Cutanix Corporation (US) 2004-08-11 EP claimed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
WO-2003043621-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES CUTANIX CORPORATION (US) 2003-05-30 WO 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
EP-1575951-B1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY DEBIOPHARM INT SA (CH) 2014-06-25 EP disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
EP-1443915-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES Cutanix Corporation (US) 2004-08-11 EP disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 WO disclosed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 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 (6 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 4/4885TSHR 4387/4885CA1 3436/4885
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885TSHR 4387/4885CA1 3436/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 ALDH1A1 4/4885TSHR 4387/4885CA1 3436/4885
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 ALDH1A1 2015/4885TSHR 3858/4885CA1 1949/4885
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ALDH1A1 4/4885TSHR 4387/4885CA1 3436/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF ALDH1A1 4188/4885TSHR 4796/4885CA1 2956/4885

“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.