SCHEMBL4076132

SCHEMBL4076132

O=C(Cl)CCC(=O)OCC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ HPGD P15428 2/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ ALDH1A1 P00352 4/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL4080431 0.86 MAPT (0.69) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL8610176 0.81 MAPT (0.62) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL7611620 0.81 MAPT (0.62) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL9547929 0.80 KMT2A (0.60) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL12064923 0.79 MAPT (0.76) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL8834212 0.79 NR4A2 (0.68) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL7946523 0.78 MAPT (0.58) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL8609644 0.78 MAPT (0.59) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL10598504 0.77 KMT2A (0.55) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL12065084 0.77 TDP1 (0.67) MAPTKMT2AMEN1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020204624-A1 MIRABEGRON PRODRUG COMPOUND, AND PHARMACEUTICAL USE OF SAME FOR TREATING OR IMPROVING OVERACTIVE BLADDER DISEASE 제이투에이치바이오텍 주식회사 2020-10-08 — — WO disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
EP-2039681-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2009-03-25 — — EP 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-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME SQLE, FDFT1, PTGIS MAPT 2868/4885KMT2A 4789/4885MEN1 3778/4885

“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.

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