SCHEMBL23879485

SCHEMBL23879485

CC/C=C/C(O)CC(=O)NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FAAH O00519 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.36
ASAH2 Q9NR71 1/20 0.36
HPGD P15428 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
THRB P10828 1/20 0.31
CETP P11597 1/20 0.31
FPR2 P25090 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL19522459 0.84 HDAC2 (0.40) HDAC2MEN1KMT2AFAAHMAPK1
SCHEMBL23879484 0.83 MEN1 (0.40) MEN1KMT2AFAAHMAPK1ALDH1A1
SCHEMBL16664145 0.83 MEN1 (0.40) MEN1KMT2AFAAHMAPK1ALDH1A1
SCHEMBL22294196 0.81 HDAC2 (0.42) HDAC2FAAHALDH1A1MAPTASAH2
SCHEMBL16664143 0.80 MEN1 (0.38) MEN1KMT2AFAAHMAPK1ALDH1A1
SCHEMBL12352426 0.79 HDAC2 (0.41) HDAC2FAAHALDH1A1MAPTASAH2
SCHEMBL6326746 0.74 HDAC2 (0.57) HDAC2MEN1KMT2AALDH1A1MAPT
SCHEMBL28216590 0.74 ALDH1A1 (0.39) HDAC2KMT2AALDH1A1MAPTFPR2
SCHEMBL6326750 0.74 HDAC2 (0.57) HDAC2MEN1KMT2AALDH1A1MAPT
SCHEMBL5692283 0.71 MAPK1 (0.45) MEN1KMT2AFAAHMAPK1ALDH1A1

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-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 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-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 HDAC2 649/4885MEN1 376/4885KMT2A 1111/4885

“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.