SCHEMBL3728978

SCHEMBL3728978

CCNC(=O)C(COC(=O)Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1)(C(=O)NCC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 3/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL3723537 0.89 KMT2A (0.46) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL3726154 0.89 KMT2A (0.46) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL3729086 0.88 MAPT (0.52) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL3729018 0.85 NR1H4 (0.48) KMT2AMAPTMAPK1SMN1; SMN2LMNA
SCHEMBL3730896 0.84 RXFP1 (0.42) KMT2AMEN1MAPTMAPK1L3MBTL1
SCHEMBL3726106 0.81 ALDH1A1 (0.43) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL3723403 0.81 KMT2A (0.44) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL3726294 0.81 MTTP (0.48) MAPTSMN1; SMN2LMNANR1H4
SCHEMBL3727302 0.81 PTGDR2 (0.47) KMT2AMAPTMAPK1SMN1; SMN2LMNA
SCHEMBL3725231 0.79 LMNA (0.39) KMT2AMAPTSMN1; SMN2LMNAKDM4E

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 11 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
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 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 2645/4885MAPT 4387/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP KMT2A 3106/4885MEN1 2283/4885MAPT 4163/4885

“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.