SCHEMBL24045852

SCHEMBL24045852

C=CCCON(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LSS P48449 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
ESR1 P03372 1/20 0.30
BCHE P06276 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
SCHEMBL9326850 0.81 MEN1 (0.37) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL24045923 0.79 SIGMAR1 (0.39) TSHR
SCHEMBL5892065 0.76 MEN1 (0.38) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL10444028 0.73 LTA4H (0.46) TSHRALDH1A1ESR1
SCHEMBL13393309 0.71 CHRNB2 (0.58) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9320965 0.71 MEN1 (0.39) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL9446422 0.71 CA12 (0.40) KDM4EMEN1KMT2AHTTPOLB
SCHEMBL24045838 0.70 AOC3 (0.52)
SCHEMBL24045856 0.70 GAA (0.40) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL14813230 0.70 ALDH1A1 (0.40) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2

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-11912647-B2 Diversity-oriented synthesis of N,N,O-trisubstituted hydroxylamines from alcohols and amines by N—O bond formation UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-11912647-B2 Diversity-oriented synthesis of N,N,O-trisubstituted hydroxylamines from alcohols and amines by N—O bond formation UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-20210363098-A1 DIVERSITY-ORIENTED SYNTHESIS OF N,N,O-TRISUBSTITUTED HYDROXYLAMINES FROM ALCOHOLS AND AMINES BY N-O BOND FORMATION UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2021-11-25 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 (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-20210363098-A1 DIVERSITY-ORIENTED SYNTHESIS OF N,N,O-TRISUBSTITUTED HYDROXYLAMINES FROM ALCOHOLS AND AMINES BY N-O BOND FORMATION ADH5, ADH1A, NAT1 KDM4E 3887/4885MEN1 3283/4885KMT2A 1702/4885
US-11912647-B2 Diversity-oriented synthesis of N,N,O-trisubstituted hydroxylamines from alcohols and amines by N—O bond formation ADH5, ADH1A, NAT1 KDM4E 3858/4885MEN1 3153/4885KMT2A 1627/4885

“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.