SCHEMBL4828419

SCHEMBL4828419

CC(=O)OC(C)C(=O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
PLK1 P53350 1/20 0.49
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CDC25B P30305 2/20 0.45
PTPN1 P18031 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GMNN O75496 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL6622009 0.93 NR4A1 (0.44) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL4831542 0.84 NR4A1 (0.47) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL5716814 0.78 NR4A1 (0.61) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL32665708 0.78 NR4A1 (0.61) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL28924687 0.78 CES2 (0.47) ADRB2ADRB1ADRB3KMT2APOLB
SCHEMBL2599098 0.77 NR4A1 (0.59) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL2599103 0.77 NR4A1 (0.59) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL4828429 0.76 MAPT (0.45) KMT2APOLBMEN1KDM4EALDH1A1
SCHEMBL2119530 0.76 NPC1 (0.55) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL698844 0.75 NR4A1 (0.53) NR4A1NR4A2NR4A3PLK1MMP3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 US disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO 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 (2 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-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B NR4A1 379/4885NR4A2 485/4885NR4A3 434/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C NR4A1 121/4885NR4A2 205/4885NR4A3 214/4885

“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.