SCHEMBL1746013

SCHEMBL1746013

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
ATM Q13315 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
GABRA1 P14867 1/20 0.42
MAOA P21397 1/20 0.42
PDE4A P27815 1/20 0.42
KDR P35968 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK9 P45984 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
SCHEMBL1744766 0.84 ALDH1A1 (0.52) CYP3A4MAPTCYP1A2ATMSLC6A2
SCHEMBL30567467 0.79 ALDH1A1 (0.52) CYP3A4MAPTATMSLC6A2SLC6A3
SCHEMBL85405 0.79 ALDH1A1 (0.52) CYP3A4MAPTATMSLC6A2SLC6A3
SCHEMBL11891605 0.78 NPSR1 (0.44) CYP3A4MAPTATMSLC6A2SLC6A3
SCHEMBL11890181 0.78 NPSR1 (0.44) CYP3A4MAPTATMSLC6A2SLC6A3
SCHEMBL1744771 0.78 NPSR1 (0.44) CYP3A4MAPTATMSLC6A2SLC6A3
SCHEMBL22147339 0.77 ALDH1A1 (0.44) CYP3A4MAPTCYP1A2ATMSLC6A2
SCHEMBL15242494 0.76 CYP3A4 (0.47) CYP3A4MAPTCYP1A2ATMSLC6A2
SCHEMBL8284590 0.76 CYP3A4 (0.45) CYP3A4MAPTATMSLC6A2SLC6A3
SCHEMBL933157 0.76 CYP3A4 (0.50) CYP3A4MAPTATMSLC6A2SLC6A3

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 20 patents. 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 claimed
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 claimed
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 claimed
US-8041964-B2 Ultra low power wake-up circuit COVIDIEN AG (CH) 2011-10-18 US claimed
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 claimed
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-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-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
WO-2012140574-A1 SUBSTITUTED CATECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-10-18 WO disclosed
WO-2012140574-A1 SUBSTITUTED CATECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-10-18 WO 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
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

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-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA IL5, IL4, IL33 CYP3A4 100/4885MAPT 3438/4885CYP1A2 223/4885
US-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) NOS2, NOS3, NOS1 CYP3A4 964/4885MAPT 4745/4885CYP1A2 615/4885

“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.