SCHEMBL20031911

SCHEMBL20031911

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.41
EGFR P00533 4/20 0.39
HRH3 Q9Y5N1 3/20 0.37
MAOA P21397 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAPK1 P28482 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL20031909 0.95 MAOB (0.43) MAOBEGFRHRH3MAOAPPARD
SCHEMBL20031904 0.95 THRA (0.43) MAOBEGFRTHRATHRB
SCHEMBL20031890 0.95 MAOB (0.38) MAOBEGFRHRH3MAOAMAPK1
SCHEMBL20031873 0.95 MAOB (0.38) MAOBEGFRHRH3PPARDPPARA
SCHEMBL20031650 0.95 MAOB (0.38) MAOBEGFRHRH3MAOATHRA
SCHEMBL22683257 0.94 MAOB (0.39) MAOBEGFRHRH3MAOAPPARD
SCHEMBL22703003 0.86 ITGB3 (0.38) MAOBEGFRPPARDPPARAITGB3
SCHEMBL22702989 0.85 THRA (0.47) MAOBEGFRTHRATHRB
SCHEMBL22683269 0.84 BRD4 (0.52) MAOBEGFR
SCHEMBL30185375 0.84 BRD4 (0.52) MAOBEGFR

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 MAOB 1990/4885EGFR 381/4885HRH3 325/4885

“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.