SCHEMBL22908466

SCHEMBL22908466

CCNCCN(CCNCCN)CCN(CC)CCNCCNCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.47
CYP2C9 P11712 1/20 0.47
CA12 O43570 4/20 0.42
CA6 P23280 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA5B Q9Y2D0 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA5A P35218 3/20 0.42
LMNA P02545 2/20 0.42
CA3 P07451 2/20 0.42
ALOX15 P16050 2/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 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
SCHEMBL16144553 0.94 CYP2C19 (0.45) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL18080811 0.92 CYP2C19 (0.54) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL14451145 0.90 CYP2C19 (0.48) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL19629209 0.90 CYP2C19 (0.48) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL19168544 0.88 CYP2C19 (0.50) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL19569970 0.88 CYP2C19 (0.50) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL11341727 0.88 CYP2C19 (0.40) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL22404850 0.88 CYP2C19 (0.50) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL10123951 0.88 CYP2C19 (0.58) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL13806036 0.86 CYP2C19 (0.48) CYP2C19CYP2C9CA12CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023181676-A1 CARBON DIOXIDE SEPARATOR, AND METHOD FOR SEPARATING OR RECOVERING CARBON DIOXIDE 公益財団法人地球環境産業技術研究機構 2023-09-28 WO disclosed
US-11492302-B2 Integrated capture and conversion of CO2 to methane, methanol, or methanol and glycol BATTELLE MEMORIAL INSTITUTE (US) 2022-11-08 US disclosed
WO-2021158599-A1 CARBOHYDRATE-BASED ADHESIVES CARGILL, INCORPORATED (US) 2021-08-12 WO disclosed
US-20210214287-A1 INTEGRATED CAPTURE AND CONVERSION OF CO2 TO METHANE, METHANOL, OR METHANOL AND GLYCOL BATTELLE MEMORIAL INSTITUTE (US) 2021-07-15 US disclosed
US-10961173-B2 Integrated capture and conversion of CO2 to methanol or methanol and glycol BATTELLE MEMORIAL INSTITUTE (US) 2021-03-30 US disclosed
US-20210017108-A1 INTEGRATED CAPTURE AND CONVERSION OF CO2 TO METHANOL OR METHANOL AND GLYCOL BATTELLE MEMORIAL INSTITUTE (US) 2021-01-21 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 (4 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-20210214287-A1 INTEGRATED CAPTURE AND CONVERSION OF CO2 TO METHANE, METHANOL, OR METHANOL AND GLYCOL MSMO1, ADH1C, MCCC2 CYP2C19 298/4885CYP2C9 118/4885CA12 649/4885
US-11492302-B2 Integrated capture and conversion of CO2 to methane, methanol, or methanol and glycol MSMO1, ADH1C, MCCC2 CYP2C19 298/4885CYP2C9 118/4885CA12 649/4885
US-10961173-B2 Integrated capture and conversion of CO2 to methanol or methanol and glycol ADH1C, ADH1A, MCCC2 CYP2C19 359/4885CYP2C9 137/4885CA12 331/4885
US-20210017108-A1 INTEGRATED CAPTURE AND CONVERSION OF CO2 TO METHANOL OR METHANOL AND GLYCOL ADH1C, ADH1A, MCCC2 CYP2C19 359/4885CYP2C9 137/4885CA12 331/4885

“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.