SCHEMBL5490219

SCHEMBL5490219

CCC(O)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.54
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
CYP3A4 P08684 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK9 P45984 1/20 0.46
MAPK1 P28482 3/20 0.45
USP2 O75604 1/20 0.45
ALPG P10696 1/20 0.45
LMNA P02545 1/20 0.45
SMAD3 P84022 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL11864310 0.89 AOC3 (0.67) AOC3CYP3A4CYP2D6HPGDHTT
SCHEMBL8712770 0.88 AOC3 (0.53) AOC3KMT2AMEN1CYP3A4CYP1A2
SCHEMBL5493126 0.88 AOC3 (0.53) AOC3KMT2AMEN1CYP3A4CYP1A2
SCHEMBL11877197 0.86 AOC3 (0.59) AOC3CYP3A4CYP2D6HPGDHTT
SCHEMBL530292 0.85 TAS1R3 (0.53) AOC3KMT2AMEN1CYP3A4CYP1A2
SCHEMBL1155555 0.84 CYP3A4 (0.56) AOC3KMT2AMEN1CYP3A4CYP1A2
SCHEMBL22785945 0.84 CYP3A4 (0.56) AOC3KMT2AMEN1CYP3A4CYP1A2
SCHEMBL22785907 0.84 CYP3A4 (0.56) AOC3KMT2AMEN1CYP3A4CYP1A2
SCHEMBL11540226 0.82 MEN1 (0.54) AOC3KMT2AMEN1KDM4ELMNA
SCHEMBL1520267 0.82 AOC3 (0.54) AOC3KMT2AMEN1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140894-B1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA SPA (IT) 2003-12-17 EP claimed
US-6342613-B1 REACTING PYROCATECHOL WITH DIHALO- OR DI-ALKOXYALKANE, ACYLATING BENZO(1,3)DIOXOLE DERIVATIVE FORMED IN PRESENCE OF CATALYST, REDUCING TO 5-(ALPHA-HYDROXYALKYL)BENZO(1,3)DIOXOLE ENDURA S.P.A. (IT) 2002-01-29 US claimed
EP-1140894-A1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA S.p.A. (IT) 2001-10-10 EP claimed
WO-2000040575-A1 PROCESS FOR THE SYNTHESIS OF 5-(α -HYDROXYALKYL) BENZO[1, 3]DIOXOLS ENDURA S.P.A. (IT) 2000-07-13 WO claimed
CN-114207100-A Toilet block with improved gloss 汉高股份有限及两合公司 2022-03-18 CN disclosed
WO-2021161083-A1 AN EFFICIENT PROCESS FOR PREPARATION OF ACYL DERIVATIVES OF ALKYLENEDIOXYBENZENES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2021-08-19 WO disclosed
WO-2021161083-A1 AN EFFICIENT PROCESS FOR PREPARATION OF ACYL DERIVATIVES OF ALKYLENEDIOXYBENZENES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2021-08-19 WO disclosed
US-9073860-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-9073860-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-9073860-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 US disclosed
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 US disclosed
US-5962490-A Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-05 US disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 EP disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996039133-A1 NOVEL N-SUBSTITUTED-2-AMINO-3',4'-METHYLENE-DIOXYPROPIOPHENONES NEUROBIOLOGICAL TECHNOLOGIES, INC. (US) 1996-12-12 WO disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 US disclosed
US-3946040-A JUVENILE HORMONE ACTIVITY, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-03-23 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 (1 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-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS DDC, APEH, AADAC AOC3 608/4885KMT2A 4113/4885MEN1 4724/4885

“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.