SCHEMBL22683261

SCHEMBL22683261

CCCCCCOc1ccc2c(c1)CCc1c(C#N)c(C#N)c3c(c1-2)-c1ccc(O)cc1CC3

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR5A1 Q13285 1/20 0.45
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
LTA4H P09960 2/20 0.40
MIF P14174 1/20 0.39
MAOB P27338 4/20 0.39
EGFR P00533 2/20 0.38
PTPN11 Q06124 1/20 0.38
ALDH2 P05091 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
SCHEMBL22702989 0.93 THRA (0.47) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL22683257 0.87 MAOB (0.39) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL20031639 0.87 ALB (0.44) MAOBALDH2
SCHEMBL22683259 0.86 BRD4 (0.48) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL22683260 0.81 ITGB3 (0.43) MAOB
SCHEMBL25016883 0.81 EGFR (0.42) MIFMAOBEGFR
SCHEMBL22683256 0.81 BRD4 (0.53) MAPTLTA4HMAOBEGFRALDH2
SCHEMBL20031910 0.80 EGFR (0.44) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL20031659 0.80 MIF (0.44) ALDH1A1GAAMIFMAOBEGFR
SCHEMBL20031911 0.79 MAOB (0.41) THRATHRBMAOBEGFR

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
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 MEN1 3486/4885NPC1 2225/4885ALDH1A1 166/4885

“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.