SCHEMBL81748

SCHEMBL81748

OCC=Cc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 1/20 0.56
ALDH1A1 P00352 2/20 0.50
GRIK1 P39086 1/20 0.50
GRIK2 Q13002 1/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
MAOB P27338 4/20 0.49
FBP1 P09467 1/20 0.49
CHAT P28329 1/20 0.49
CHRM5 P08912 1/20 0.48
RELA Q04206 1/20 0.47
MAOA P21397 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
HPGD P15428 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP1B1 Q16678 1/20 0.44
GRIN2D O15399 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
SCHEMBL29879797 1.00 CYP1A2 (0.56) CYP1A2CYP2C9ALDH1A1GRIK1GRIK2
SCHEMBL24737367 1.00 CYP1A2 (0.56) CYP1A2CYP2C9ALDH1A1GRIK1GRIK2
SCHEMBL81747 1.00 CYP1A2 (0.56) CYP1A2CYP2C9ALDH1A1GRIK1GRIK2
SCHEMBL9272281 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4RECQLFBP1
SCHEMBL9281030 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4RECQLFBP1
SCHEMBL2772413 0.82 CYP1A2 (0.53) CYP1A2CYP2C9GRIK1GRIK2CYP3A4
SCHEMBL2772409 0.82 CYP1A2 (0.53) CYP1A2CYP2C9GRIK1GRIK2CYP3A4
SCHEMBL699365 0.80 CHAT (0.67) CYP1A2CYP2C9MAOBFBP1CHAT
SCHEMBL699364 0.80 CHAT (0.67) CYP1A2CYP2C9MAOBFBP1CHAT
SCHEMBL9131505 0.80 CHAT (0.53) CYP1A2CYP2C9GRIK1GRIK2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102337307-A Preparation method of optically active phenyl glycidol and derivatives thereof CHENGDU INST BIOLOGY CAS 2012-02-01 CN claimed
CN-113429249-B Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2023-06-16 CN disclosed
CN-113429249-A Method for synthesizing chiral 4-hydroxy amino acid derivative 陕西师范大学 2021-09-24 CN disclosed
CN-111233760-B Synthetic method of 2, 4-diaryl quinoline compound 浙江工业大学 2021-07-27 CN disclosed
CN-111233760-A Synthetic method of 2, 4-diaryl quinoline compound 浙江工业大学 2020-06-05 CN disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2223927-B1 Salts of a phosphonic acid based prodrug of PMEA METABASIS THERAPEUTICS INC (US) 2014-10-15 EP disclosed
EP-1927889-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2014-06-25 EP disclosed
EP-1556393-B1 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS METABASIS THERAPEUTICS INC (US) 2013-12-25 EP disclosed
EP-2563123-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-06 EP disclosed
US-20040192651-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2004-09-30 US disclosed
WO-2004041834-A2 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2004-05-21 WO disclosed
US-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. 2003-12-11 US disclosed
US-6558873-B1 Interlayer containing a compound capable of forming a complex with aluminum and a photopolymerizable photosensitive layer containing a photopolymerization initiator, an addition polymerizable compound capable of complexing with aluminum FUJI PHOTO FILM CO., LTD. (JP) 2003-05-06 US disclosed
EP-1091253-A2 Plate making process for planographic plate, automatic developing apparatus and recording medium FUJI PHOTO FILM CO., LTD. (JP) 2001-04-11 EP disclosed
EP-1091251-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2001-04-11 EP disclosed
EP-0104863-B1 LIGHT-SENSITIVE PLANOGRAPHIC PRINTING PLATE FUJI PHOTO FILM CO., LTD. (JP) 1989-05-03 EP disclosed
US-4687727-A Light-sensitive planographic printing plate with layer of diazo resin containing photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1987-08-18 US disclosed
US-4511645-A ALLYL METHACRYLATE-METHACRYLIC ACID COPOLYMER, CURING AGENT, PHOTOINITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1985-04-16 US disclosed
EP-0104863-A2 Light-sensitive planographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1984-04-04 EP 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-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues MTAP, PNP, MPO CYP1A2 541/4885CYP2C9 133/4885ALDH1A1 437/4885
US-20040192651-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs PNP, CYP2S1, CYP2F1 CYP1A2 25/4885CYP2C9 38/4885ALDH1A1 391/4885

“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.