SCHEMBL2128780

SCHEMBL2128780

CC(C)=CCCC(C)CC(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HPGD P15428 2/20 0.56
GGPS1 O95749 2/20 0.50
FDPS P14324 2/20 0.50
GLA P06280 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL29828494 0.81 ALDH1A1 (0.58) MEN1KMT2AHPGDPLA2G1BATG4B
SCHEMBL30805758 0.81 ALDH1A1 (0.58) MEN1KMT2AHPGDPLA2G1BATG4B
SCHEMBL28420496 0.81 HDAC2 (0.58) HPGDGGPS1FDPSGLAMAPT
SCHEMBL25990286 0.80 ALOX15 (0.55) MEN1KMT2AALDH1A1L3MBTL1ATM
SCHEMBL18774007 0.78 KMT2A (0.61) MEN1KMT2AHPGDPLA2G1BATG4B
SCHEMBL30989309 0.78 TRPV1 (0.61) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL5866871 0.76 ALDH1A1 (0.71) MEN1KMT2AHPGDPLA2G1BATG4B
SCHEMBL4623293 0.76 ATM (0.44) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL28427493 0.75 SMN1; SMN2 (0.48) HPGDGGPS1FDPSALDH1A1SMN1; SMN2
SCHEMBL21233937 0.75 MEN1 (0.65) MEN1KMT2AHPGDPLA2G1BATG4B

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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES NATIONAL SCIENCE FOUNDATION 2012-04-26 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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES DOHH, AOC1, ESD MEN1 2425/4885KMT2A 262/4885HPGD 495/4885

“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.