SCHEMBL1478038

SCHEMBL1478038

O=[C]C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
MAPK1 P28482 2/20 0.41
AKT1 P31749 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL27486603 0.89 CES2 (0.52) ALDH1A1CES2TDP1CYP19A1CA2
SCHEMBL27436928 0.84 PDE4A (0.45) ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9
SCHEMBL27434149 0.83 CES2 (0.58) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4285852 0.80 NFE2L2 (0.48) ALDH1A1CYP2C19L3MBTL1CES1CES2
SCHEMBL27536908 0.79 KAT6A (0.44) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL262233 0.76 CES2 (0.43) ALDH1A1CYP2C19L3MBTL1CES1CES2
SCHEMBL6801638 0.76 CES2 (0.43) ALDH1A1CYP2C19L3MBTL1CES1CES2
SCHEMBL262234 0.76 CES2 (0.43) ALDH1A1CYP2C19L3MBTL1CES1CES2
SCHEMBL7607185 0.76 CES1 (0.39) ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9
SCHEMBL4713673 0.76 RECQL (0.46) ALDH1A1CYP2C19L3MBTL1CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112470046-A Retardation film and method for producing same 林特琅普股份有限公司 2021-03-09 CN claimed
CN-104603643-A Methods of making and articles comprising a yellowing resistant polycarbonate composition SABIC INNOVATIVE PLASTICS IP 2015-05-06 CN claimed
CN-104136423-A Ribonucleotide reductase inhibitors and methods of use HOPE CITY 2014-11-05 CN claimed
CN-102285951-A Luteolin derivative and application thereof to preventing and treating cardiovascular disease 2011-12-21 CN claimed
EP-1663915-B1 METHOD FOR THE PRODUCTION OF [18F] FLUORIDE-MARKED AROMATIC L-AMINO ACIDS UNIV EBERHARD KARLS (DE) 2009-12-02 EP claimed
US-7297788-B2 Regioselective hydroxylation, functionalisation and protection of spirolactams LABORATORIOS DEL DR. ESTEVE. S.A. (ES) 2007-11-20 US claimed
US-20050261492-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2005-11-24 US claimed
EP-1598336-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-23 EP claimed
JP-55031851-A None JP disclosed
US-12002595-B2 Separation of metal ions by liquid-liquid extraction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-04 US disclosed
US-20220160904-A1 CHELATING PLATFORM FOR DELIVERY OF RADIONUCLIDES FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-05-26 US disclosed
CN-114026175-A Thermoplastic resin composition 帝人株式会社 2022-02-08 CN disclosed
US-11235076-B2 Chelating platform for delivery of radionuclides FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-02-01 US disclosed
CN-113474691-A Optical layered body and method for producing same 林特琅普股份有限公司 2021-10-01 CN disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 WO disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed
JP-S5531851-A FLAME-RETARDANT RESIN COMPOSITION FUJITSU LTD 1980-03-06 JP 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 (4 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-20050261492-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams POR, CYP51A1, CYP17A1 ALDH1A1 82/4885CYP2C19 7/4885L3MBTL1 4825/4885
US-11235076-B2 Chelating platform for delivery of radionuclides SLC40A1, TFRC, SLC39A14 ALDH1A1 4561/4885CYP2C19 4680/4885L3MBTL1 2354/4885
US-20220160904-A1 CHELATING PLATFORM FOR DELIVERY OF RADIONUCLIDES SLC40A1, TFRC, SLC39A14 ALDH1A1 4561/4885CYP2C19 4680/4885L3MBTL1 2354/4885
US-12002595-B2 Separation of metal ions by liquid-liquid extraction SLC39A14, SLC39A11, SLC39A7 ALDH1A1 4783/4885CYP2C19 4298/4885L3MBTL1 124/4885

“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.