SCHEMBL22683256

SCHEMBL22683256

CCOC(=O)CCCCCOc1ccc2c(c1)CCc1c(C#N)c(C#N)c3c(c1-2)-c1ccc(OCCCCCC(=O)OCC)cc1CC3

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
PDK2 Q15119 2/20 0.45
FFAR1 O14842 1/20 0.43
MAOB P27338 5/20 0.42
ALDH2 P05091 2/20 0.42
MAOA P21397 1/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
S1PR1 P21453 1/20 0.37
LTA4H P09960 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
P2RY12 Q9H244 1/20 0.37
EGFR P00533 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
SCHEMBL22683259 0.95 BRD4 (0.48) BRD4PDK2FFAR1MAOBALDH2
SCHEMBL30185375 0.91 BRD4 (0.52) BRD4PDK2FFAR1MAOBPDE3B
SCHEMBL22683269 0.91 BRD4 (0.52) BRD4PDK2FFAR1MAOBPDE3B
SCHEMBL22683260 0.86 ITGB3 (0.43) PDK2FFAR1MAOBS1PR1
SCHEMBL22702989 0.84 THRA (0.47) MAOBMAPTKDM4EEGFR
SCHEMBL20031661 0.83 KDM4E (0.42) BRD4PDK2MAOBMAPTKDM4E
SCHEMBL20031639 0.82 ALB (0.44) PDK2MAOBALDH2MAOAS1PR1
SCHEMBL22683261 0.81 MEN1 (0.46) MAOBALDH2MAPTLTA4HEGFR
SCHEMBL20031910 0.80 EGFR (0.44) MAOBMAOAMAPTKDM4EEGFR
SCHEMBL22683275 0.79 ITGB3 (0.38) PDK2FFAR1MAOBALDH2MAOA

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 3 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

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 4615/4885PDK2 2438/4885FFAR1 496/4885

“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.