SCHEMBL23996018

SCHEMBL23996018

C=C(N)NNCCc1ccc(OC(C)=O)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ CA5A P35218 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL24211769 0.89 PTGS1 (0.55) PTGS1POLBATMCA12CA1
SCHEMBL24212182 0.82 CA12 (0.53) PTGS1POLBATMCA12CA1
SCHEMBL14985425 0.78 PTGS1 (0.59) PTGS1ATMCA12CA1CA2
SCHEMBL24212178 0.77 KMT2A (0.61) POLBATMCA12CA1CA2
SCHEMBL8348726 0.76 ADRB2 (0.71) PTGS1POLBATMCA12CA1
SCHEMBL357406 0.76 PTGS1 (0.64) PTGS1POLBCA12CA1CA2
SCHEMBL2357109 0.76 PTGS1 (0.64) PTGS1ATMCA12CA1CA2
SCHEMBL3938664 0.75 TRPV1 (0.63) CA12CA1CA2CA9KMT2A
SCHEMBL18280764 0.75 ALOX5 (0.67) PTGS1KMT2ATRPV1MEN1
SCHEMBL29670774 0.75 ALOX5 (0.67) PTGS1KMT2ATRPV1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11166464-B2 Self-assembled active agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-11-09 — — 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 (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-11166464-B2 Self-assembled active agents PCNA, POLM, MUS81 PTGS1 2942/4885POLB 80/4885ATM 2206/4885

“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.

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