SCHEMBL848186

SCHEMBL848186

CC(C)(C)c1cc(O)cc(C=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.60
GABRB2 P47870 1/20 0.60
HMGCR P04035 1/20 0.40
ALDH5A1 P51649 2/20 0.38
ABAT P80404 2/20 0.38
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
AOX1 Q06278 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL14005550 0.84 GABRA1 (0.40) GABRA1GABRB2HMGCRALDH1A1TDP1
SCHEMBL189788 0.84 GABRA1 (0.46) GABRA1GABRB2HMGCRTDP1EPHX2
SCHEMBL13616882 0.79 PTGS1 (0.48) ALDH5A1ABATALDH1A1LCK
SCHEMBL29417675 0.79 PTGS1 (0.48) ALDH5A1ABATALDH1A1LCK
SCHEMBL16024474 0.79 GABRA1 (0.43) GABRA1GABRB2HMGCRTDP1SRC
SCHEMBL3264978 0.77 GABRA1 (0.39) GABRA1GABRB2HMGCRALDH1A1TDP1
SCHEMBL8008577 0.77 RXRA (0.40) GABRA1GABRB2HMGCRTYRALDH1A1
SCHEMBL3201259 0.77 GABRA1 (0.39) GABRA1GABRB2HMGCRALDH1A1TDP1
SCHEMBL2032568 0.77 GABRA1 (0.39) GABRA1GABRB2HMGCRALDH1A1TDP1
SCHEMBL9261197 0.77 LCK (0.58) ALDH5A1ABATLMNATYRALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745240-B2 Metal free process for allylic oxidation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-08-29 US claimed
US-20160159717-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-09 US claimed
WO-2015015511-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-05 WO claimed
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-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 US claimed
WO-2003043621-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES CUTANIX CORPORATION (US) 2003-05-30 WO claimed
US-9745240-B2 Metal free process for allylic oxidation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-08-29 US disclosed
US-9745240-B2 Metal free process for allylic oxidation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-08-29 US disclosed
US-9745240-B2 Metal free process for allylic oxidation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-08-29 US disclosed
US-20160159717-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-09 US disclosed
US-20160159717-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-09 US disclosed
US-20160159717-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-09 US disclosed
WO-2010133528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-25 WO disclosed
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 US disclosed
US-5177259-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
US-5142095-A Treating inflammation, allergies, asthma, cardiovascular disorders, psoriasis WARNER-LAMBERT COMPANY (US) 1992-08-25 US disclosed
US-5077411-A Antiallergens, antiinflammatory agents; cardiovascular disorders, migraines, psoriasis WARNER-LAMBERT CO. (US) 1991-12-31 US disclosed
US-4959503-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1990-09-25 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 (2 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-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments TYR, HRH1, HRH2 GABRA1 2542/4885GABRB2 2192/4885HMGCR 147/4885
US-20160159717-A1 NOVEL METAL FREE PROCESS FOR ALLYLIC OXIDATION NFE2L2, PPOX, NOX4 GABRA1 4139/4885GABRB2 4009/4885HMGCR 1385/4885

“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.