SCHEMBL148679

SCHEMBL148679

Cc1cc(C=O)cc(C)c1OCC1COC(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SRC P12931 1/20 0.37
MAPK14 Q16539 8/20 0.36
KCNJ5 P48544 2/20 0.35
KCNJ3 P48549 2/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34

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
SCHEMBL10181092 0.82 CA2 (0.47) CA2ALDH1A1NPSR1MAPK14KCNJ5
SCHEMBL459920 0.80 CA2 (0.41) CA2ALDH1A1NPSR1MAPK14KCNJ5
SCHEMBL251926 0.80 APP (0.48) CA2ALDH1A1MAPK14
SCHEMBL3598217 0.80 APP (0.48) CA2ALDH1A1MAPK14
SCHEMBL382940 0.80 APP (0.48) CA2ALDH1A1MAPK14
SCHEMBL459717 0.80 CA2 (0.41) CA2ALDH1A1NPSR1MAPK14KCNJ5
SCHEMBL1250408 0.78 CA2 (0.47) CA2ALDH1A1NPSR1MAPK14KCNJ5
SCHEMBL1250405 0.78 CA2 (0.47) CA2ALDH1A1NPSR1MAPK14KCNJ5
SCHEMBL12673084 0.78 ALDH1A1 (0.46) CA2ALDH1A1MAPK14
SCHEMBL3297902 0.76 CA2 (0.42) CA2ALDH1A1NPSR1MAPK14KCNJ5

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP disclosed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2017-11-16 US disclosed
US-9757368-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2017-09-12 US disclosed
WO-2013186612-A1 THE USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BET (BROMODOMAIN AND EXTRA TERMINAL DOMAIN) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-12-19 WO disclosed
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US disclosed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 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 (5 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-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA2 4083/4885ALDH1A1 1042/4885NPSR1 1821/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 CA2 4474/4885ALDH1A1 3920/4885NPSR1 4420/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA2 4083/4885ALDH1A1 1042/4885NPSR1 1821/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA2 4083/4885ALDH1A1 1042/4885NPSR1 1821/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA2 4083/4885ALDH1A1 1042/4885NPSR1 1821/4885

“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.