SCHEMBL18288680

SCHEMBL18288680

COC(=O)c1ccc(NC(=O)COC(=O)/C=C/C(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
MAPT P10636 6/20 0.65
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 6/20 0.58
HPGD P15428 2/20 0.57
PKM P14618 1/20 0.56
LMNA P02545 4/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.53
NTSR1 P30989 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL18288663 0.94 ALDH1A1 (0.65) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL18292191 0.94 MAPT (0.59) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL5008292 0.82 MEN1 (0.77) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL1411294 0.80 MEN1 (0.72) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL18288648 0.79 KMT2A (0.69) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL8661871 0.79 MEN1 (0.82) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL8401925 0.77 KMT2A (0.79) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2351620 0.77 MEN1 (0.79) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL20548265 0.76 MEN1 (0.66) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL21590314 0.76 MEN1 (0.83) KMT2AMEN1MAPTRAB9AALDH1A1

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-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 US disclosed
US-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 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-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC KMT2A 1588/4885MEN1 3008/4885MAPT 8/4885

“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.