SCHEMBL25819160

SCHEMBL25819160

CCCC(CCC)COc1cccc(CNC)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.47
NOS3 P29474 2/20 0.47
BCHE P06276 4/20 0.44
KDM4E B2RXH2 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4568906 0.84 MAPK1 (0.50) BCHEKDM4E
SCHEMBL13881720 0.83 CHRM2 (0.48) NOS1BCHEMEN1KMT2A
SCHEMBL3964848 0.83 CYP4F2 (0.44) BCHE
SCHEMBL13881943 0.82 KDM4E (0.54) KDM4EPRMT5WDR77MEN1KMT2A
SCHEMBL4569157 0.82 BCHE (0.40) BCHEKDM4EPRMT5WDR77MEN1
SCHEMBL10278756 0.82 EPHX2 (0.40) BCHEPRMT5WDR77MEN1KMT2A
SCHEMBL19291786 0.82 KDM4E (0.54) KDM4EPRMT5WDR77MEN1KMT2A
SCHEMBL2205362 0.82 MAOB (0.48) NOS1BCHE
SCHEMBL4568761 0.81 PPARA (0.51) BCHE
SCHEMBL19291579 0.79 HTR1B (0.51) KDM4EKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER NOS1 1659/4885NOS3 1001/4885BCHE 1649/4885

“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.