SCHEMBL1744766

SCHEMBL1744766

CC(C)(C=O)c1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 3/20 0.44
ATM Q13315 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
GABRA1 P14867 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
KDR P35968 1/20 0.43
GABRB2 P47870 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.41
CMA1 P23946 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL1746013 0.84 CYP3A4 (0.46) ALDH1A1HSD17B10TDP1CYP3A4ATM
SCHEMBL30567467 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CYP3A4ATM
SCHEMBL85405 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CYP3A4ATM
SCHEMBL5583715 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CYP3A4ATM
SCHEMBL30553746 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CYP3A4ATM
SCHEMBL30553748 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CYP3A4ATM
SCHEMBL1744771 0.80 NPSR1 (0.44) ALDH1A1HSD17B10TDP1CYP3A4ATM
SCHEMBL11890181 0.80 NPSR1 (0.44) ALDH1A1HSD17B10TDP1CYP3A4ATM
SCHEMBL11891605 0.80 NPSR1 (0.44) ALDH1A1HSD17B10TDP1CYP3A4ATM
SCHEMBL22147339 0.78 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP3A4ATMTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385934-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL SCIENT IND RES (IN) 2016-05-18 EP disclosed
EP-2385934-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL SCIENT IND RES (IN) 2016-05-18 EP disclosed
US-9302967-B2 Substituted cathechols as inhibitors of IL-4 and IL-5 for the treatment of bronchial asthma COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-05 US disclosed
US-9302967-B2 Substituted cathechols as inhibitors of IL-4 and IL-5 for the treatment of bronchial asthma COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-05 US disclosed
US-9302967-B2 Substituted cathechols as inhibitors of IL-4 and IL-5 for the treatment of bronchial asthma COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-05 US disclosed
US-9290473-B2 Inhibitors of phosphatidylinositol-3-kinase (PI3) and inducers of nitric oxide (NO) COUCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-03-22 US disclosed
US-9290473-B2 Inhibitors of phosphatidylinositol-3-kinase (PI3) and inducers of nitric oxide (NO) COUCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-03-22 US disclosed
US-9290473-B2 Inhibitors of phosphatidylinositol-3-kinase (PI3) and inducers of nitric oxide (NO) COUCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-03-22 US disclosed
US-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 US disclosed
US-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 US disclosed
US-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-07-26 US disclosed
US-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-07-26 US disclosed
EP-2385934-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) Council of Scientific & Industrial Research (IN) 2011-11-16 EP disclosed
US-8041964-B2 Ultra low power wake-up circuit COVIDIEN AG (CH) 2011-10-18 US disclosed
EP-2152682-B1 2,5-DI- AND 2,2,5-TRISUBSTITUTED DI- AND TETRAHYDROFURAN DERIVATIVES AND THEIR USE FOR THE PRODUCTION OF PERFUMES GIVAUDAN SA (CH) 2011-08-17 EP disclosed
WO-2010079423-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-07-15 WO disclosed
WO-2010079423-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-07-15 WO disclosed
US-20100173999-A1 2,5-DI- and 2,2,5-Trisubstituted Di- and Tetrahydrofuran Derivatives and Their Use for the Production of Perfumes GIVAUDAN SA (CH) 2010-07-08 US disclosed
EP-2152682-A1 2,5-DI- AND 2,2,5-TRISUBSTITUTED DI- AND TETRAHYDROFURAN DERIVATIVES AND THEIR USE FOR THE PRODUCTION OF PERFUMES Givaudan SA (CH) 2010-02-17 EP disclosed
WO-2008148236-A1 2,5-DI- AND 2,2,5-TRISUBSTITUTED DI- AND TETRAHYDROFURAN DERIVATIVES AND THEIR USE FOR THE PRODUCTION OF PERFUMES GIVAUDAN SA (CH) 2008-12-11 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 (3 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-20100173999-A1 2,5-DI- and 2,2,5-Trisubstituted Di- and Tetrahydrofuran Derivatives and Their Use for the Production of Perfumes COXFA4, DUOX2, DRD5 ALDH1A1 733/4885HSD17B10 727/4885TDP1 3887/4885
US-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA IL5, IL4, IL33 ALDH1A1 1102/4885HSD17B10 1190/4885TDP1 4704/4885
US-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) NOS2, NOS3, NOS1 ALDH1A1 2529/4885HSD17B10 2605/4885TDP1 1905/4885

“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.