SCHEMBL1924848

SCHEMBL1924848

CC(C)(CCOCCOCCO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
ACLY P53396 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
PPARA Q07869 8/20 0.37
ALDH1A1 P00352 1/20 0.36
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA1A P35348 1/20 0.35
PPARG P37231 1/20 0.35
HTR2B P41595 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
SCHEMBL6255125 0.91 ACLY (0.43) TSHRACLYACACBACACAPPARA
SCHEMBL5526119 0.89 ACLY (0.45) TSHRACLYACACBACACAPPARA
Hydrochloric Acid SCHEMBL864764 0.87 ACLY (0.43) TSHRACLYACACBACACAPPARA
SCHEMBL15012611 0.85 MEN1 (0.48) MEN1KMT2ATSHRMAPK1ACLY
SCHEMBL6258950 0.83 ACLY (0.45) TSHRACLYACACBACACAPPARA
Tetraethylene Glycol SCHEMBL4886960 0.82 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL1640973 0.82 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5520099 0.81 PPARA (0.49) TSHRACLYACACBACACAPPARA
SCHEMBL7632628 0.80 TSHR (0.41) MEN1KMT2ATSHRMAPK1ACLY
Pivalate SCHEMBL11109449 0.80 TSHR (0.53) MEN1KMT2ATSHRMAPK1THRB

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
EP-2328619-B1 POLYMERIC BENZYL CARBONATE-DERIVATIVES Baxalta GmbH (CH) 2016-12-07 EP disclosed
US-8962549-B2 Polymeric benzyl carbonate-derivatives BAXTER INTERNATIONAL INC. (US) 2015-02-24 US disclosed
US-20140128445-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER HEALTHCARE SA (CH) 2014-05-08 US disclosed
US-8653131-B2 Polymeric benzyl carbonate-derivatives BAXTER HEALTHCARE S.A. (CH) 2014-02-18 US disclosed
EP-2328619-A2 POLYMERIC BENZYL CARBONATE-DERIVATIVES Baxter International Inc. (US) 2011-06-08 EP disclosed
WO-2010022320-A2 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER INTERNATIONAL INC. (US) 2010-02-25 WO disclosed
US-20100048483-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES BAXTER HEALTHCARE S.A. (CH) 2010-02-25 US 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-20100048483-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES SI, SLC1A5, BCAT1 MEN1 1541/4885KMT2A 1035/4885TSHR 4553/4885
US-20140128445-A1 POLYMERIC BENZYL CARBONATE-DERIVATIVES SI, SLC1A5, BCAT1 MEN1 1541/4885KMT2A 1035/4885TSHR 4553/4885

“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.