SCHEMBL327701

SCHEMBL327701

CCOCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.48
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PARP10 Q53GL7 1/20 0.44
ACP3 P15309 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4850585 0.87 CYP1A2 (0.56) CYP1A2CYP2C19CYP2D6CYP2C9CNR1
SCHEMBL31012122 0.87 CYP1A2 (0.56) CYP1A2CYP2C19CYP2D6CYP2C9CNR1
SCHEMBL6420347 0.85 NPC1 (0.48) CYP1A2CYP2C19CYP2D6CYP2C9CNR1
Ether SCHEMBL25222637 0.84 CYP1A2 (0.50) CYP1A2CYP2C19CYP2D6CYP2C9ATM
SCHEMBL14199087 0.82 CYP1A2 (0.44) CYP1A2CYP2C19CYP2D6CYP2C9CNR1
Hydroxyamine SCHEMBL8924246 0.82 MEN1 (0.53) CYP1A2CYP2C19CYP2D6CYP2C9CNR1
SCHEMBL27948927 0.81 CYP1A2 (0.47) CYP1A2CYP2C19CYP2D6CYP2C9CNR1
SCHEMBL11051055 0.81 CYP1A2 (0.47) CYP1A2CYP2C19CYP2D6CYP2C9TDP1
SCHEMBL648250 0.80 IDO1 (0.39) ATMKMT2AMEN1TDP1
SCHEMBL2108040 0.80 CYP1A2 (0.48) CYP1A2CYP2C19CYP2D6CYP2C9CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026418-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2022-02-08 CN claimed
CN-217384427-U Finished product powder conveying and weighing device for production of ethyl naphthyl methyl ether 宁夏派可威生物科技有限公司 2022-09-06 CN disclosed
CN-217139277-U Dry crystallization device is used in production of second naphthyl methyl ether 宁夏派可威生物科技有限公司 2022-08-09 CN disclosed
CN-217043773-U Washing device for preparing ethyl naphthyl methyl ether 宁夏派可威生物科技有限公司 2022-07-26 CN disclosed
CN-114026418-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2022-02-08 CN disclosed
CN-108367088-B Composition and delivery system and filling for spraying two or more compositions 约翰逊父子公司 2021-07-06 CN disclosed
US-20180273763-A1 DISPERSANT AND PRINTING INK COMPOSITION SEIKO EPSON CORPORATION (JP) 2018-09-27 US disclosed
US-20170305809-A1 AGENT FOR INTRODUCING PROTECTING GROUP FOR HYDROXY GROUP AND/OR MERCAPTO GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-10-26 US disclosed
EP-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
EP-2004847-B1 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS PENTABASE APS (DK) 2017-05-03 EP disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4354904-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1982-10-19 US disclosed
US-4212711-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4212710-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4148696-A Electrochemical oxidation of activated alkyl aromatic compounds UOP INC. (US) 1979-04-10 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-20170305809-A1 AGENT FOR INTRODUCING PROTECTING GROUP FOR HYDROXY GROUP AND/OR MERCAPTO GROUP GRHPR, AOX1, MSRB3 CYP1A2 262/4885CYP2C19 881/4885CYP2D6 409/4885

“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.