SCHEMBL20031656

SCHEMBL20031656

CCOC(=O)CCCCCOc1ccc2c(c1)CCc1c3c(c4c(c1-2)-c1ccc(O)cc1CC4)C(=O)N(c1ccccc1)C3=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
ALDH2 P05091 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PDK2 Q15119 2/20 0.42
FAAH O00519 2/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PLA2G2A P14555 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
MIF P14174 1/20 0.38
S1PR1 P21453 2/20 0.37
LTA4H P09960 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL25017625 0.96 BRD4 (0.50) BRD4ALDH2MAOAMAOBPDK2
SCHEMBL25018113 0.90 BRD4 (0.45) BRD4ALDH2MAOAMAOBPDK2
SCHEMBL25017019 0.84 ITGB3 (0.38) MAOAMAOBITGB3ITGA2BMIF
SCHEMBL22683259 0.81 BRD4 (0.48) BRD4ALDH2MAOAMAOBPDK2
SCHEMBL22703030 0.79 MIF (0.41) BRD4MAOAMAOBMIFFFAR1
SCHEMBL22703031 0.79 ESR1 (0.50) MIF
SCHEMBL25017621 0.78 ESR1 (0.56) MAOAMAOBMIF
SCHEMBL25016866 0.78 ITGB3 (0.40) MAOAMAOBITGB3ITGA2B
SCHEMBL20031887 0.77 ALDH2 (0.47) BRD4ALDH2MAOAMAOBPDK2
SCHEMBL20031893 0.77 GAA (0.46) MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2023-02-14 US disclosed
WO-2018063105-A1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2018-04-05 WO 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-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor OR51E2, HDHD5, WEE1 BRD4 4615/4885ALDH2 402/4885MAOA 2352/4885

“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.