SCHEMBL21178022

SCHEMBL21178022

CCOC(OCC)c1ccccc1OP(N(C(C)C)C(C)C)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NISCH Q9Y2I1 2/20 0.32
GAA P10253 1/20 0.31
PTPRC P08575 2/20 0.30
CDC25B P30305 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL5397237 0.75 CA1 (0.48) ADRA2BALDH1A1
SCHEMBL5393586 0.75 ALDH1A1 (0.50) ALDH1A1GAAPTPRCCTDSP1
SCHEMBL21178029 0.70 ALDH1A1 (0.41) ALDH1A1GAA
SCHEMBL10583512 0.69 LTA4H (0.48) ALDH1A1GAA
SCHEMBL22877201 0.69 MAPT (0.41) ALDH1A1CTDSP1
SCHEMBL7045603 0.67 NISCH (0.39) ADRA2AADRA2BADRA2CALDH1A1NISCH
SCHEMBL22762103 0.66 TAAR1 (0.36) ADRA2AADRA2BADRA2C
SCHEMBL11196008 0.66 CYSLTR2 (0.51) ADRA2AALDH1A1
SCHEMBL699772 0.65 ALDH1A1 (0.38) ALDH1A1PTPRCCDC25B
SCHEMBL898540 0.65 ESR1 (0.50) ADRA2AADRA2BADRA2CALDH1A1GAA

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-11427550-B2 5-fluorouracil compounds NUCORION PHARMACEUTICALS, INC. (US) 2022-08-30 US disclosed
US-20200399227-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. 2020-12-24 US disclosed
WO-2019143860-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. (US) 2019-07-25 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 (2 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-20200399227-A1 5-FLUOROURACIL COMPOUNDS DPYD, DHFR, FAU ADRA2A 2748/4885ADRA2B 3262/4885ADRA2C 2446/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 ADRA2A 3164/4885ADRA2B 3443/4885ADRA2C 2420/4885

“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.