SCHEMBL31369939

SCHEMBL31369939

COc1cccc(CNCC(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
HDAC1 Q13547 2/20 0.60
ALDH1A1 P00352 4/20 0.59
CHRM2 P08172 1/20 0.59
KDM4E B2RXH2 3/20 0.59
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MMP13 P45452 1/20 0.58
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
CYP1A2 P05177 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL7368527 1.00 MEN1 (0.71) MEN1KMT2AHDAC1ALDH1A1CHRM2
Acetic Acid SCHEMBL8720053 0.97 MEN1 (0.68) MEN1KMT2AHDAC1ALDH1A1CHRM2
SCHEMBL27570857 0.93 MEN1 (0.63) MEN1KMT2AHDAC1ALDH1A1CHRM2
SCHEMBL3200125 0.88 MEN1 (0.68) MEN1KMT2AHDAC1ALDH1A1CHRM2
SCHEMBL4584070 0.86 MEN1 (0.65) MEN1KMT2AHDAC1ALDH1A1CHRM2
SCHEMBL525046 0.83 MEN1 (0.60) MEN1KMT2AHDAC1ALDH1A1KDM4E
Fumaric Acid SCHEMBL9416535 0.83 MEN1 (0.74) MEN1KMT2AHDAC1ALDH1A1CHRM2
Maleic Acid SCHEMBL9416530 0.83 MEN1 (0.74) MEN1KMT2AHDAC1ALDH1A1CHRM2
SCHEMBL1134127 0.83 CHRM2 (0.74) MEN1KMT2AHDAC1ALDH1A1CHRM2
SCHEMBL10011061 0.82 MEN1 (0.60) MEN1KMT2AHDAC1ALDH1A1CHRM2

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MEN1 4354/4885KMT2A 3415/4885HDAC1 3939/4885

“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.