SCHEMBL10001246

SCHEMBL10001246

CC(=O)CC(O)(CC(C)=O)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
TRPA1 O75762 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CA4 P22748 1/20 0.32
LMNA P02545 1/20 0.30
SLC15A2 Q16348 1/20 0.30

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
SCHEMBL18538616 0.89 ALDH1A1 (0.52) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL1669880 0.86 ALDH1A1 (0.38) ALDH1A1TDP1TRPA1HMGCRCHRM1
SCHEMBL14849625 0.83 MGAM (0.46) ALDH1A1LMNA
SCHEMBL11090206 0.82 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL12836893 0.82 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL1667587 0.80
SCHEMBL13891324 0.79 ALDH1A1 (0.60) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL5145947 0.79 ALDH1A1 (0.60) ALDH1A1TDP1TRPA1HMGCRCHRM1
SCHEMBL11439849 0.73 ALDH1A1 (0.41) ALDH1A1TDP1TRPA1HMGCRCHRM1
SCHEMBL1056782 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180256105-A1 FLEXIBLE WEARABLE DRY ELECTRODE AND PREPARATION METHOD THEREOF SUZHOU MINDOM TECHNOLOGY CO., LTD. (CN) 2018-09-13 US claimed
CN-108698851-B Composition for forming coating film and method for producing same 日产化学工业株式会社 2020-11-10 CN disclosed
CN-108698851-A Composition for forming coating film and method for producing same 日产化学工业株式会社 2018-10-23 CN disclosed
US-20170259099-A1 SILICON-CONTAINING ORGANIC ACID DERIVATIVES AS ENVIRONMENTALLY FRIENDLY AFFF EXTINGUISHING AGENTS UNIVERSITÄT ZU KÖLN (DE) 2017-09-14 US disclosed
US-9050368-B2 Corticosteroid compositions MERITAGE PHARMA, INC. (US) 2015-06-09 US disclosed
US-8911805-B2 Calcium preparation and method of production thereof TOYO SUISAN KAISHA, LTD. (JP) 2014-12-16 US disclosed
US-8865692-B2 Compositions for the treatment of gastrointestinal inflammation MERITAGE PHARMA, INC (US) 2014-10-21 US disclosed
US-8679545-B2 Topical corticosteroids for the treatment of inflammatory diseases of the gastrointestinal tract THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-25 US disclosed
US-8497258-B2 Viscous budesonide for the treatment of inflammatory diseases of the gastrointestinal tract THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-30 US disclosed
US-20130022733-A1 CALCIUM PREPARATION AND METHOD OF PRODUCTION THEREOF TOYO SUISAN KAISHA, LTD. (JP) 2013-01-24 US disclosed
US-20100216754-A1 COMPOSITIONS FOR THE TREATMENT OF INFLAMMATION OF THE GASTROINTESTINAL TRACT MERITAGE PHARMA, INC. (US) 2010-08-26 US disclosed
US-20090191275-A1 VISCOUS BUDESONIDE FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE GASTROINTESTINAL TRACT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2009-07-30 US disclosed
US-20090181099-A1 TOPICAL CORTICOSTEROIDS FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE GASTROINTESTINAL TRACT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2009-07-16 US disclosed
US-20090143343-A1 COMPOSITIONS FOR THE TREATMENT OF INFLAMMATION OF THE GASTROINTESTINAL TRACT MERITAGE PHARMA, INC. (US) 2009-06-04 US disclosed
US-20090137540-A1 COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL INFLAMMATION MERITAGE PHARMA, INC. (US) 2009-05-28 US disclosed
US-20090123550-A1 CORTICOSTEROID COMPOSITIONS MERITAGE PHARMA, INC. (US) 2009-05-14 US disclosed
US-20090123551-A1 GASTROINTESTINAL DELIVERY SYSTEMS MERITAGE PHARMA, INC. (US) 2009-05-14 US disclosed
US-20090123390-A1 COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL INFLAMMATION MERITAGE PHARMA, INC. (US) 2009-05-14 US disclosed
US-20090111057-A1 PHOTOIMAGEABLE BRANCHED POLYMER BREWER SCIENCE INC. 2009-04-30 US disclosed
US-7354888-B2 Antibacterial composition and methods thereof comprising a ternary builder mixture DANISCO A/S (DK) 2008-04-08 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-20100216754-A1 COMPOSITIONS FOR THE TREATMENT OF INFLAMMATION OF THE GASTROINTESTINAL TRACT FABP2, FABP6, PTGES2 ALDH1A1 825/4885TDP1 4529/4885TRPA1 557/4885
US-20090181099-A1 TOPICAL CORTICOSTEROIDS FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE GASTROINTESTINAL TRACT TSLP, NR3C1, SERPINA6 ALDH1A1 2041/4885TDP1 3173/4885TRPA1 1335/4885
US-20090191275-A1 VISCOUS BUDESONIDE FOR THE TREATMENT OF INFLAMMATORY DISEASES OF THE GASTROINTESTINAL TRACT IL5, IL33, TSLP ALDH1A1 1952/4885TDP1 3641/4885TRPA1 3424/4885
US-20090123550-A1 CORTICOSTEROID COMPOSITIONS NR3C1, SERPINA6, NR3C2 ALDH1A1 2311/4885TDP1 4375/4885TRPA1 2659/4885
US-20090123390-A1 COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL INFLAMMATION FABP2, FABP6, FABP1 ALDH1A1 1408/4885TDP1 4474/4885TRPA1 1199/4885
US-20090143343-A1 COMPOSITIONS FOR THE TREATMENT OF INFLAMMATION OF THE GASTROINTESTINAL TRACT FABP2, FABP6, PTGES2 ALDH1A1 825/4885TDP1 4529/4885TRPA1 557/4885
US-20090137540-A1 COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL INFLAMMATION FABP2, FABP6, TNF ALDH1A1 1302/4885TDP1 4485/4885TRPA1 834/4885
US-20090123551-A1 GASTROINTESTINAL DELIVERY SYSTEMS FABP2, SLC10A2, FABP6 ALDH1A1 2138/4885TDP1 3701/4885TRPA1 4323/4885

“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.