SCHEMBL20031887

SCHEMBL20031887

CCOC(=O)CCCCCOc1ccc2c(ccc3c4c(c5ccc6cc(O)ccc6c5c32)C(=O)N(c2ccccc2)C4=O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
FFAR1 O14842 1/20 0.44
PLA2G2A P14555 3/20 0.43
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
FAAH O00519 2/20 0.41
PDK2 Q15119 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
LTA4H P09960 3/20 0.38
BRD4 O60885 1/20 0.38
HDAC1 Q13547 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
SCHEMBL25016874 0.83 ESR1 (0.36) ALDH2MAOAMAOBHDAC1
SCHEMBL25016892 0.79 ALDH2 (0.49) ALDH2MAOAMAOBFFAR1PLA2G2A
SCHEMBL20031656 0.77 BRD4 (0.46) ALDH2MAOAMAOBFFAR1PLA2G2A
SCHEMBL9132945 0.74 CYSLTR2 (0.54) ALDH2MAOAMAOBFFAR1PLA2G2A
SCHEMBL25017625 0.74 BRD4 (0.50) ALDH2MAOAMAOBFFAR1PLA2G2A
SCHEMBL25017617 0.74 FFAR1 (0.52) ALDH2MAOAMAOBFFAR1PLA2G2A
SCHEMBL10900455 0.73 BRD4 (0.54) ALDH2MAOAMAOBFFAR1CYSLTR2
SCHEMBL15798175 0.70 CYSLTR2 (0.58) ALDH2MAOAMAOBFFAR1CYSLTR2
SCHEMBL7632059 0.70 CYSLTR2 (0.64) FFAR1CYSLTR2CYSLTR1FAAHPDK2
SCHEMBL15104736 0.70 NR5A1 (0.60) ALDH2MAOAMAOBFFAR1CYSLTR2

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 ALDH2 402/4885MAOA 2352/4885MAOB 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.