SCHEMBL3734472

SCHEMBL3734472

CCC(C)OC(=O)C(CCOC(=O)c1ccc(OC(=O)c2ccccc2C(=O)c2ccccc2)cc1)(C(=O)O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 6/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
THRB P10828 1/20 0.35
PRTN3 P24158 1/20 0.35
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3727750 0.84 MTTP (0.37) MAPTL3MBTL1TDP1
SCHEMBL3734465 0.84 MAPT (0.41) ELANELMNAMAPTL3MBTL1TDP1
SCHEMBL3730634 0.73 MTTP (0.43) ALDH1A1
SCHEMBL3726228 0.72 MAPT (0.41) LMNAMAPTNPSR1
SCHEMBL28201247 0.71 ALDH1A1 (0.52) LMNAMAPTL3MBTL1ALDH1A1NPSR1
SCHEMBL3725222 0.70 MEN1 (0.39) MAPTKMT2AMEN1PPARANPSR1
SCHEMBL3727328 0.69 MAPT (0.42) MAPTALDH1A1NPSR1
SCHEMBL10344296 0.69 ALDH1A1 (0.67) ELANELMNAMAPTL3MBTL1TDP1
SCHEMBL3727747 0.68 PDK2 (0.39) ELANELMNAMAPTPRTN3
SCHEMBL3726303 0.67 ALDH1A1 (0.40) ELANEMAPTL3MBTL1TDP1KMT2A

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 7 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-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 ELANE 3614/4885LMNA 2248/4885MAPT 4387/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP ELANE 3527/4885LMNA 2365/4885MAPT 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.