SCHEMBL4780472

SCHEMBL4780472

c1ccc(-c2cc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 9/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 3/20 0.54
ALOX5 P09917 2/20 0.53
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MPI P34949 1/20 0.52
RECQL P46063 1/20 0.51
LMNA P02545 1/20 0.49
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
CYP11B1 P15538 1/20 0.43
ENPP1 P22413 1/20 0.41

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
SCHEMBL31756884 1.00 GPR84 (0.54) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL24882293 0.89 GPR84 (0.58) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL24882476 0.89 GPR84 (0.58) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL24882504 0.89 GPR84 (0.58) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL28008785 0.89 MEN1 (0.49) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL30022214 0.87 MEN1 (0.49) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL17442110 0.87 MEN1 (0.49) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL20987825 0.86 GPR84 (0.46) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL20987827 0.86 GPR84 (0.49) GPR84MEN1KMT2AKDM4EALOX5
SCHEMBL1408488 0.83 GPR84 (0.51) GPR84MEN1KMT2AKDM4EALOX5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109477993-B Medium chain fatty acid esters of beta-hydroxybutyrate and butanediol and compositions and methods of use thereof J大卫格莱斯顿研究机构 2023-03-28 CN disclosed
CN-114292190-A Medium chain fatty acid esters of butylene glycol, compositions, oral formulations and methods of use thereof J大卫格莱斯顿研究机构 2022-04-08 CN disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
CN-114206900-A Neuroactive steroids and compositions thereof 萨奇治疗股份有限公司 2022-03-18 CN disclosed
CN-111511860-A Method for producing glass unit, pressure-sensitive adhesive sheet, and use of corrosion inhibitor 日东电工株式会社 2020-08-07 CN disclosed
CN-102249831-B New method for synthesizing 1,2,3-triaryl naphthalene derivatives UNIV BEIJING CHEMICAL 2015-04-08 CN disclosed
CN-102249831-A New method for synthesizing 1,2,3-triaryl naphthalene derivatives UNIV BEIJING CHEMICAL 2011-11-23 CN disclosed
CN-102127458-A Binary synergistic photosensitive liquid crystal orientation agent for disc liquid crystal orientation and preparation method UNIV BEIJING SCIENCE & TECH 2011-07-20 CN disclosed
WO-2008080832-A2 CARBONITRIDES AS CATALYSTS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-07-10 WO disclosed
EP-1941946-A1 Carbonitrides as catalysts Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-07-09 EP disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed
US-6350875-B1 COMPOUNDS FOR ELECTRONICS THE UNIVERSITY OF SOUTHERN CALIFORNIA 2002-02-26 US disclosed
US-20020016474-A1 Synthesis of cyclooctatetraene derivatives and their use as electron transporters in organic light emitting diodes WEBER WILLIAM P (US) 2002-02-07 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-20020016474-A1 Synthesis of cyclooctatetraene derivatives and their use as electron transporters in organic light emitting diodes SLC18A3, SLC18A2, SLC25A21 GPR84 2088/4885MEN1 4818/4885KMT2A 3883/4885

“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.