SCHEMBL21477083

SCHEMBL21477083

CNCCCOCCCOCCCOC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
HTR1B P28222 2/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.35
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HRH1 P35367 2/20 0.32
SLC6A4 P31645 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HTR1D P28221 1/20 0.31

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
SCHEMBL24921840 1.00 ALDH1A1 (0.40) ALDH1A1GAAHTR1BTSHREPHX1
SCHEMBL24921932 0.98 ALDH1A1 (0.39) ALDH1A1GAAHTR1BTSHREPHX1
SCHEMBL24921936 0.98 ALDH1A1 (0.39) ALDH1A1GAAHTR1BTSHREPHX1
SCHEMBL24921941 0.98 ALDH1A1 (0.39) ALDH1A1GAAHTR1BTSHREPHX1
SCHEMBL24922741 0.95 ALDH1A1 (0.38) ALDH1A1GAAHTR1BTSHREPHX1
SCHEMBL24920945 0.93 ALDH1A1 (0.39) ALDH1A1GAAHTR1BTSHREPHX1
SCHEMBL21477084 0.93 HTR1B (0.38) ALDH1A1GAAHTR1BTSHREPHX1
SCHEMBL19606317 0.93 EPHX1 (0.39) ALDH1A1GAAHTR1BTSHREPHX1
SCHEMBL24921949 0.93 EPHX1 (0.39) ALDH1A1GAAHTR1BTSHREPHX1
SCHEMBL24921951 0.91 EPHX1 (0.37) ALDH1A1GAAHTR1BTSHREPHX1

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 5 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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed
WO-2021057872-A1 PROTAC SMALL MOLECULE COMPOUND AND APPLICATION THEREOF 珠海宇繁生物科技有限责任公司 2021-04-01 WO disclosed
EP-3302572-B1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS INC (US) 2021-01-06 EP 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 ALDH1A1 4159/4885GAA 2888/4885HTR1B 4564/4885

“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.