SCHEMBL25819244

SCHEMBL25819244

CNCCOc1cccc(OCC2CCCCC2)c1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.57
HTR1D P28221 1/20 0.46
MCHR1 Q99705 3/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KMT2A Q03164 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL25822155 0.88 MCHR1 (0.46) HTR1BMCHR1ALDH1A1KDM4EPDE4A
SCHEMBL4568915 0.84 MCHR1 (0.47) HTR1BHTR1DMCHR1
SCHEMBL2206901 0.83 MCHR1 (0.49) HTR1BMCHR1KDM4E
SCHEMBL29818908 0.83 MCHR1 (0.49) HTR1BMCHR1KDM4E
Ammonia Solution, Strong SCHEMBL4198347 0.80 MCHR1 (0.48) MCHR1ALDH1A1KDM4EKMT2A
SCHEMBL19291642 0.79 HTR1B (0.50) HTR1BHTR1DALDH1A1KDM4ECARM1
SCHEMBL25819210 0.79 HTR1B (0.50) HTR1BHTR1DALDH1A1KDM4ECARM1
SCHEMBL18721737 0.79 HTR1B (0.50) HTR1BHTR1DALDH1A1KDM4ECARM1
SCHEMBL2209601 0.79 KMT2A (0.45) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL25819240 0.77 PARP10 (0.47) HTR1BCARM1PRMT6

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 HTR1B 960/4885HTR1D 1401/4885MCHR1 666/4885

“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.