SCHEMBL23373774

SCHEMBL23373774

CC(C)(C)C(=O)/C(C#N)=C/c1cc2c3c(c1)CCCN3CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ EGFR P00533 2/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ SLC16A3 O15427 2/20 0.37
▸ SLC16A1 P53985 2/20 0.37
▸ APP P05067 2/20 0.36

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
SCHEMBL14540647 0.84 SLC16A3 (0.47) ALDH1A1KMT2AEGFRRAD52RXFP1
SCHEMBL13428212 0.84 SLC16A3 (0.47) ALDH1A1KMT2AEGFRRAD52RXFP1
SCHEMBL597887 0.84 SLC16A3 (0.47) ALDH1A1KMT2AEGFRRAD52RXFP1
SCHEMBL16301917 0.83 MAPT (0.51) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL10253234 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL14703464 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL597755 0.77 KMT2A (0.55) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL17903535 0.75 ALDH1A1 (0.53) ALDH1A1KMT2AEGFRKDM4ESMN1; SMN2
SCHEMBL15491206 0.74 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL23373764 0.73 KMT2A (0.42) ALDH1A1KMT2AMEN1MAPTNPC1

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-20210147932-A1 FLUORESCENT PROBES FOR QUANTIFICATION OF DNA DAMAGE AND REPAIR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-05-20 — — 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-20210147932-A1 FLUORESCENT PROBES FOR QUANTIFICATION OF DNA DAMAGE AND REPAIR UNG, OGG1, FEN1 ALDH1A1 624/4885KMT2A 3582/4885MEN1 4141/4885

“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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