SCHEMBL3723537

SCHEMBL3723537

O=C(Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1)OCC(C(=O)NCC(F)(F)F)(C(=O)NCC(F)(F)F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CRHR2 Q13324 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL3728978 0.89 KMT2A (0.50) KMT2AMEN1RXFP1MAPTMAPK1
SCHEMBL3723403 0.88 KMT2A (0.44) KMT2AMEN1RXFP1MAPTMAPK1
SCHEMBL3723621 0.86 NR1H4 (0.45) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL3729086 0.83 MAPT (0.52) KMT2AMEN1RXFP1MAPTMAPK1
SCHEMBL3725268 0.83 MTTP (0.45) GAANR1H4
SCHEMBL3726154 0.79 KMT2A (0.46) KMT2AMEN1RXFP1MAPTMAPK1
SCHEMBL3731347 0.77 PTGS2 (0.37) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL3726027 0.75 PDCD1 (0.41) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3728909 0.75 F2R (0.48) KMT2AMEN1RXFP1MAPTMAPK1
SCHEMBL3729081 0.75 MTTP (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US claimed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP claimed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 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 (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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP KMT2A 2890/4885MEN1 2645/4885RXFP1 461/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP KMT2A 3106/4885MEN1 2283/4885RXFP1 284/4885

“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.