SCHEMBL3729148

SCHEMBL3729148

CCOC(=O)C(COC(=O)Cc1ccc(NC(=O)c2ccccc2Oc2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 11/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MTTP P55157 2/20 0.36
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3734704 0.94 RXFP1 (0.42) RXFP1MEN1KMT2ARAB9AMAPT
SCHEMBL3735369 0.94 RXFP1 (0.47) RXFP1MEN1KMT2AMAPT
Granotapide SCHEMBL1484041 0.88 MTTP (0.44) MTTP
SCHEMBL3725220 0.88 RXFP1 (0.43) RXFP1PPARGPPARDPPARANR1H4
SCHEMBL3726645 0.87 RXFP1 (0.40) RXFP1MEN1KMT2APPARGPPARD
SCHEMBL3734637 0.87 ALDH1A1 (0.38) RXFP1PPARGPPARDPPARANR1H4
SCHEMBL3730910 0.87 ALDH1A1 (0.38) RXFP1PPARGPPARDPPARANR1H4
SCHEMBL3729050 0.86 SMO (0.42) RXFP1PPARGPPARDPPARANR1H4
SCHEMBL3726226 0.86 MTTP (0.39) RXFP1PPARGPPARDPPARANR1H4
SCHEMBL3731050 0.86 MTTP (0.38) RXFP1PPARGPPARDPPARANR1H4

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.