SCHEMBL4529250

SCHEMBL4529250

O=C(CO)c1ccccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.61
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CHRNB2 P17787 3/20 0.53
CHRNB4 P30926 3/20 0.53
CHRNA3 P32297 3/20 0.53
CHRNA4 P43681 3/20 0.53
HNF4A P41235 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
GPR52 Q9Y2T5 1/20 0.47
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL22445691 0.83 BCAT2 (0.62) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL11309513 0.83 BCAT2 (0.57) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL28721159 0.83 BCAT2 (0.57) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL3876724 0.83 BCAT2 (0.57) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL3420505 0.83 BCAT2 (0.57) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL11507229 0.83 BCAT2 (0.57) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL30505632 0.83 BCAT2 (0.57) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL16581129 0.83 BCAT2 (0.57) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL10790803 0.82 SMN1; SMN2 (0.56) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL11244471 0.82 BCAT2 (0.60) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2

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-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B BCAT2 3234/4885KMT2A 2279/4885MEN1 3047/4885

“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.