SCHEMBL97617

SCHEMBL97617

O=[C]c1cccc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
MAOA P21397 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
KMO O15229 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GRM5 P41594 1/20 0.41
PTPN5 P54829 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
FAAH O00519 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 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
SCHEMBL7902628 0.83 ALDH1A1 (0.45) MAOAHDAC8KMOHDAC4HDAC2
SCHEMBL2322395 0.83 ESR1 (0.61) XDHSLC22A12ALOX5
SCHEMBL6215483 0.83 GABRG2 (0.45) PTPN5GABRG2GABRB3GABRA5GABRA3
SCHEMBL11263406 0.83 PTPN5 (0.36) MGLLPTPN5XDHSLC22A12MMP12
SCHEMBL2321571 0.83 PTPN5 (0.42) GRM5PTPN5XDHSLC22A12
SCHEMBL28833125 0.80 CYP1A2 (0.50) MGLLALDH1A1HTT
SCHEMBL28886 0.79 APP (0.35) ALDH1A1
SCHEMBL2321711 0.78 KIF11 (0.53) MGLLPTPN5
SCHEMBL97063 0.77 CYP1A2 (0.52) MGLLALDH1A1FAAHHTT
Hydrochloric Acid SCHEMBL9124177 0.76 CYP3A4 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-109796418-A Phenylalanine derivative and the preparation method and application thereof containing 4- phenyl -1,2,3- triazole 山东大学 2019-05-24 CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
US-20230099775-A1 CURABLE COMPOSITION, CURED PRODUCT, CURED FILM, DISPLAY PANEL, AND METHOD FOR PRODUCING CURED FILM TOKYO OHKA KOGYO CO., LTD. (JP) 2023-03-30 US disclosed
CN-115703939-A Curable composition, cured product, cured film, display panel, and method for producing cured film 东京应化工业株式会社 2023-02-17 CN disclosed
CN-114545731-A Photosensitive composition for forming optical member, cured product, microlens, method for producing microlens pattern, and microlens 东京应化工业株式会社 2022-05-27 CN disclosed
CN-114502613-A Curable composition, cured product, and method for forming cured product 东京应化工业株式会社 2022-05-13 CN disclosed
CN-109796418-B Phenylalanine derivative containing 4-phenyl-1, 2, 3-triazole and preparation method and application thereof 山东大学 2022-03-25 CN disclosed
US-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-12-23 US disclosed
EP-3858909-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-08-04 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-20050282730-A1 Thrombopoetin receptor activator and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-12-22 US disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 WO disclosed
EP-1552828-A1 THROMBOPOETIN RECEPTOR ACTIVATOR AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2005-07-13 EP disclosed
EP-0929217-B1 SORDARIN DERIVATIVES MERCK & CO INC (US) 2004-03-03 EP disclosed
EP-1007032-B1 4-CYANO-4-DEFORMYLSORDARICIN DERIVATIVES MERCK & CO INC (US) 2003-04-23 EP disclosed
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 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 (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-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF NOC2L, RIF1, NAP1L1 MGLL 4448/4885MAOA 4128/4885HDAC8 1857/4885
US-20050282730-A1 Thrombopoetin receptor activator and process for producing the same PDGFRA, PTAFR, TBXA2R MGLL 3781/4885MAOA 2558/4885HDAC8 2725/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC MGLL 1234/4885MAOA 4503/4885HDAC8 2914/4885

“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.