SCHEMBL3729238

SCHEMBL3729238

CCNC(=O)C(COC(=O)Cc1ccc(OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(Cl)c1)(C(=O)NCC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.40
MTTP P55157 6/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
BACE1 P56817 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
BDKRB1 P46663 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3727525 0.92 PPARD (0.39) PPARDMTTPMRGPRX4PPARGPPARA
SCHEMBL3727082 0.88 MTTP (0.42) MTTPPPARGPPARAGAASMN1; SMN2
SCHEMBL13318909 0.87 MTTP (0.45) MTTPALDH1A1HPGDKMT2AGAA
SCHEMBL3722371 0.83 PPARD (0.40) PPARDMTTPMRGPRX4PPARGBACE1
SCHEMBL3722399 0.81 MTTP (0.55) MTTPALDH1A1HPGDKMT2A
SCHEMBL3734741 0.81 MTTP (0.46) MTTP
SCHEMBL3726294 0.81 MTTP (0.48) MTTPSMN1; SMN2
SCHEMBL3726011 0.81 MTTP (0.52) MTTPALDH1A1
SCHEMBL3723765 0.81 MTTP (0.46) MTTP
SCHEMBL3727088 0.81 MTTP (0.46) MTTPPPARGPPARA

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 9 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-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 PPARD 393/4885MTTP 3/4885MRGPRX4 1073/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP PPARD 359/4885MTTP 3/4885MRGPRX4 950/4885

“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.