SCHEMBL21477084

SCHEMBL21477084

CNCCCOCCCOCCOC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.38
CA2 P00918 3/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 2/20 0.33
TSHR P16473 2/20 0.33
EPHX1 P07099 1/20 0.33
HRH1 P35367 2/20 0.32
SLC6A4 P31645 1/20 0.32
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
HTR1D P28221 1/20 0.30

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
SCHEMBL6850612 0.98 HTR1B (0.39) HTR1BCA2ALDH1A1GAAEPHX2
SCHEMBL24921945 0.98 HTR1B (0.39) HTR1BCA2ALDH1A1GAAEPHX2
SCHEMBL22144501 0.98 HTR1B (0.39) HTR1BCA2ALDH1A1GAAEPHX2
SCHEMBL24921936 0.95 ALDH1A1 (0.39) HTR1BCA2ALDH1A1GAAEPHX2
SCHEMBL24921932 0.95 ALDH1A1 (0.39) HTR1BCA2ALDH1A1GAAEPHX2
SCHEMBL24921941 0.95 ALDH1A1 (0.39) HTR1BCA2ALDH1A1GAAEPHX2
SCHEMBL20325345 0.95 HTR1B (0.38) HTR1BCA2ALDH1A1GAAEPHX2
Hydrochloric Acid SCHEMBL26110173 0.95 HTR1B (0.38) HTR1BCA2ALDH1A1GAAEPHX2
SCHEMBL20325344 0.93 EPHX2 (0.39) HTR1BCA2EPHX2TSHREPHX1
SCHEMBL21477083 0.93 ALDH1A1 (0.40) HTR1BALDH1A1GAAEPHX2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230332145-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-10-19 US disclosed
WO-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 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-20230332145-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF EFTUD2, DDX21, SNRPE HTR1B 4564/4885CA2 4173/4885ALDH1A1 4159/4885

“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.