SCHEMBL20031639

SCHEMBL20031639

N#Cc1c(C#N)c2c(c3c1CCc1cc(O)ccc1-3)-c1ccc(OCCCCCC(=O)O)cc1CC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.44
ALDH2 P05091 8/20 0.41
MAOB P27338 8/20 0.41
MAOA P21397 7/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
S1PR1 P21453 1/20 0.39
PDK2 Q15119 2/20 0.39
AKR1B1 P15121 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALK Q9UM73 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
SCHEMBL22683260 0.95 ITGB3 (0.43) ALBMAOBITGB3ITGA2BS1PR1
SCHEMBL22683259 0.88 BRD4 (0.48) ALDH2MAOBMAOAS1PR1PDK2
SCHEMBL22683261 0.87 MEN1 (0.46) ALDH2MAOB
SCHEMBL22683275 0.87 ITGB3 (0.38) ALBALDH2MAOBMAOAITGB3
SCHEMBL22683257 0.86 MAOB (0.39) MAOBMAOAITGB3ITGA2BPPARD
SCHEMBL22703003 0.82 ITGB3 (0.38) ALBMAOBITGB3ITGA2BS1PR1
SCHEMBL22683256 0.82 BRD4 (0.53) ALDH2MAOBMAOAS1PR1PDK2
SCHEMBL20031661 0.81 KDM4E (0.42) MAOBS1PR1PDK2
SCHEMBL22702989 0.80 THRA (0.47) MAOB
SCHEMBL20031911 0.79 MAOB (0.41) MAOBMAOAITGB3ITGA2BPPARD

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 5 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
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
EP-3518746-B1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECH DEVELOPMENT AGENCY (TH) 2020-11-25 EP disclosed
EP-3518746-B1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECH DEVELOPMENT AGENCY (TH) 2020-11-25 EP 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 ALB 2511/4885ALDH2 402/4885MAOB 1990/4885

“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.