SCHEMBL3734704

SCHEMBL3734704

CCOC(=O)C(COC(=O)Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)c(C(=O)N(C)C)c1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.35
ATM Q13315 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL3729148 0.94 RXFP1 (0.44) RXFP1MEN1KMT2ARAB9AMAPT
SCHEMBL3735369 0.93 RXFP1 (0.47) RXFP1MEN1KMT2ANPSR1MAPT
SCHEMBL3730896 0.90 RXFP1 (0.42) RXFP1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL3726081 0.87 NPSR1 (0.39) NPSR1MAPTGAAALDH1A1HPGD
SCHEMBL3726645 0.86 RXFP1 (0.40) RXFP1MEN1KMT2AMAPTALDH1A1
SCHEMBL3725166 0.85 MAPT (0.40) KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3726357 0.85 MTTP (0.37) MEN1KMT2ARAB9AL3MBTL1NPSR1
SCHEMBL3727306 0.85 MTTP (0.37) MEN1KMT2AL3MBTL1MAPTGAA
SCHEMBL3729086 0.84 MAPT (0.52) RXFP1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL3726094 0.84 ALDH1A1 (0.43) MEN1KMT2ARAB9AL3MBTL1NPSR1

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 RXFP1 461/4885MEN1 2645/4885KMT2A 2890/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP RXFP1 284/4885MEN1 2283/4885KMT2A 3106/4885

“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.