SCHEMBL25824900

SCHEMBL25824900

C=C1c2ccccc2C(=O)N1CC#Cc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
PDK2 Q15119 1/20 0.37
KAT6A Q92794 1/20 0.36
HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL4569035 0.93 ALDH1A1 (0.44) MAOAMAOBSIRT2ALDH1A1TSHR
SCHEMBL4569154 0.85 CHRNB4 (0.46) MAOAMAOBSIRT2CHRNB4CHRNA3
SCHEMBL11996362 0.74 MAOA (0.47) MAOAMAOBSIRT2ALDH1A1MAPK1
SCHEMBL2207552 0.74 RAB9A (0.60) MAOAMAOBALDH1A1TSHRMAPK1
SCHEMBL4569044 0.74 RAB9A (0.60) MAOAMAOBALDH1A1TSHRMAPK1
SCHEMBL2208993 0.74 RAB9A (0.60) MAOAMAOBALDH1A1TSHRMAPK1
SCHEMBL4568824 0.74 CHRNB4 (0.47) MAOAMAOBCHRNB4CHRNA3TLR4
SCHEMBL2204534 0.74 TLR4 (0.45) SIRT2CHRNB4CHRNA3TLR4TLR2
SCHEMBL8903855 0.73 MAOA (0.46) MAOAMAOBSIRT2ALDH1A1TLR4
SCHEMBL2207764 0.73 RAB9A (0.61) MAOAMAOBALDH1A1TSHRMAPK1

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 MAOA 443/4885MAOB 332/4885SIRT2 903/4885

“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.