SCHEMBL81747

SCHEMBL81747

OC/C=C/c1cccc(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
SCHEMBL81748 1.00 CYP1A2 (0.56) CYP1A2CYP2C9ALDH1A1GRIK1GRIK2
SCHEMBL29879797 1.00 CYP1A2 (0.56) CYP1A2CYP2C9ALDH1A1GRIK1GRIK2
SCHEMBL24737367 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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
US-20230150933-A1 BROAD SPECTRUM ANTIVIRALS AGAINST CORONAVIRUS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2023-05-18 US disclosed
US-20230150933-A1 BROAD SPECTRUM ANTIVIRALS AGAINST CORONAVIRUS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2023-05-18 US disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2021202460-A1 BROAD SPECTRUM ANTIVIRALS AGAINST CORONAVIRUS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-10-07 WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP 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
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-0335315-B1 New alkanephenones CIBA GEIGY AG (CH) 1994-06-22 EP disclosed
US-5149717-A Alkanophenones useful for treating allergies CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
EP-0335315-A1 New alkanephenones CIBA-GEIGY AG (CH) 1989-10-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 CYP1A2 1064/4885CYP2C9 802/4885ALDH1A1 3026/4885
US-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues MTAP, PNP, MPO CYP1A2 541/4885CYP2C9 133/4885ALDH1A1 437/4885
US-20230150933-A1 BROAD SPECTRUM ANTIVIRALS AGAINST CORONAVIRUS SARS1, ZC3HAV1, POLL CYP1A2 1582/4885CYP2C9 1378/4885ALDH1A1 2499/4885

“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.