SCHEMBL4022260

SCHEMBL4022260

O=[C]c1ccc2cc([C]=O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.33
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 1/20 0.32
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
PRSS1 P07477 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL5182331 0.91 CYP1A2 (0.35) CYP1A1CYP1B1CYP1A2CYP2A6CA1
SCHEMBL69325 0.89 CES2 (0.43) CYP1A1CYP1B1CYP1A2CYP2A6CA1
SCHEMBL1921032 0.87 ALDH1A1 (0.44) ASIC3CYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL1434691 0.85 CYP1A2 (0.50) CYP1A2
SCHEMBL2345972 0.85 CYP1A2 (0.50) CYP1A2CYP2A6
SCHEMBL2346917 0.85 ALDH1A1 (0.50) F2PLAUCA2
SCHEMBL2347410 0.85 CYP2A6 (0.50) CYP2A6
SCHEMBL2344274 0.85 CYP2A6 (0.50) CYP2A6CYP11B1CYP11B2
SCHEMBL5385145 0.85 CYP2A6 (0.59) CYP1A2CYP2A6
SCHEMBL15301420 0.82 CYP1A2 (0.54) CYP1A2CYP2A6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112174-B1 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME DU PONT (US) 2009-07-01 EP claimed
EP-1112174-A4 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME DU PONT (US) 2002-05-22 EP claimed
EP-1112174-A1 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-07-04 EP claimed
US-6063464-A HEATING WITH CATALYST; ISOSORBIDE IS A RENEWABLE MONOMER HNA HOLDINGS, INC. (US) 2000-05-16 US claimed
US-5990248-A RESIN BLEND HAVING AN INTRINSIC VISCOSITY IN THE RANGE OF FROM 0.31 TO 0.68 DL/G. NKK CORPORATION (JP) 1999-11-23 US claimed
WO-1999054119-A1 ISOSORBIDE CONTAINING POLYESTERS AND METHODS FOR MAKING SAME E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-28 WO claimed
EP-0656389-A1 FILM FORMED FROM POLYETHYLENE 2,6-NAPHTHALATE RESIN, PROCESS FOR PRODUCING SAID FILM, AND WRAPPING USING SAID FILM NKK CORPORATION (JP) 1995-06-07 EP claimed
US-4611025-A Process for the production of thermoplastic compositions containing thermotropic oligomers and compositions produced by such process ALLIED CORPORATION, A CORP OF NY 1986-09-09 US claimed
US-4565850-A Thermoplastic composition containing nematic oligomer ALLIED CORPORATION (US) 1986-01-21 US claimed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US claimed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 US claimed
WO-2021141807-A1 METHODS FOR PREPARING MIXED POLYAMIDES, POLYIMIDES AND POLYAMIDEIMlDES VIA HYDROTHERMAL POLYMERIZATION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2021-07-15 WO disclosed
CN-107098814-A Contain naphthalene and amide structure function diamine monomer and its synthetic method and application with high flatness 湖南工业大学 2017-08-29 CN disclosed
CN-107098816-A Contain naphthalene and ester structure function diamine monomer and its synthetic method and application with high flatness 湖南工业大学 2017-08-29 CN disclosed
CN-107056634-A It is a kind of new with the diamine monomer of function containing naphthalene structure of high flatness and its synthetic method and application 湖南工业大学 2017-08-18 CN disclosed
US-4487916-A Melt-spinnable copolyesters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-11 US disclosed
US-4435561-A Temperature stable thermotropic poly(ester carbonate) containing high amounts of readily available diols ALLIED CORPORATION (US) 1984-03-06 US disclosed
US-4398018-A Temperature stable thermotropic poly(ester carbonate) derived from t-butylhydroquinone ALLIED CORPORATION (US) 1983-08-09 US disclosed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 US disclosed