SCHEMBL20910885

SCHEMBL20910885

O=C(Nc1ccccc1N1CCOCC1)Nc1ccccc1N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
CYP1A2 P05177 3/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2C19 P33261 2/20 0.68
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
KCNQ2 O43526 1/20 0.64
TSHR P16473 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
EPHX2 P34913 1/20 0.63
HPGD P15428 1/20 0.63
MAPK10 P53779 1/20 0.63
POLB P06746 2/20 0.61
SCN9A Q15858 1/20 0.61
NPSR1 Q6W5P4 3/20 0.60
CYP2C9 P11712 2/20 0.60
MAPT P10636 1/20 0.60
GAA P10253 1/20 0.60
NPC1 O15118 1/20 0.60

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
SCHEMBL20911012 0.93 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL4326786 0.89 ALDH1A1 (0.70) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL9555514 0.87 POLB (0.69) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL18711850 0.86 ALDH1A1 (0.70) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL20911014 0.85 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL18701666 0.83 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL4717225 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL19889013 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL5903997 0.83 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL16585115 0.83 SMN1; SMN2 (0.58) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284171-A1 METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2019-09-19 US disclosed
WO-2019073484-A1 METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2019-04-18 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-20190284171-A1 METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS CBR3, CBR1, NOX3 ALDH1A1 78/4885CYP1A2 176/4885CYP3A4 325/4885

“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.