SCHEMBL1743976

SCHEMBL1743976

CC(C)(C#N)c1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
ALOX15 P16050 3/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
EGFR P00533 2/20 0.46
ESR1 P03372 9/20 0.44
SIRT1 Q96EB6 1/20 0.42
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
TRPA1 O75762 1/20 0.38
ESR2 Q92731 4/20 0.38
ALOX12 P18054 2/20 0.37
KLF10 Q13118 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL12987933 0.82 AR (0.40) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL5651250 0.78 TYR (0.45) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL682899 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL6563317 0.77 KIF11 (0.41) ALDH1A1HPGDHSD17B10TDP1ESR1
SCHEMBL1244431 0.76 ESR1 (0.55) ALDH1A1ALOX15HPGDHSD17B10ESR1
SCHEMBL50705 0.75 ALDH1A1 (1.00) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29358687 0.75 ALDH1A1 (1.00) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL1501111 0.75 ALDH1A1 (0.73) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL768840 0.75 ALDH1A1 (0.53) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL10227953 0.74 SCN10A (0.38) ALDH1A1ESR1SCN10ACYP19A1CYP2C9

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 25 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 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
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 claimed
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 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
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
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
WO-2011133951-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-27 WO disclosed
US-8041964-B2 Ultra low power wake-up circuit COVIDIEN AG (CH) 2011-10-18 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 ALDH1A1 1102/4885ALOX15 34/4885HPGD 674/4885
US-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) NOS2, NOS3, NOS1 ALDH1A1 2529/4885ALOX15 920/4885HPGD 186/4885

“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.