SCHEMBL3476855

SCHEMBL3476855

CC1(C)OB(c2cc(CC(=O)O)ccc2F)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
NFKB1 P19838 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RGS12 O14924 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
GNAI1 P63096 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
LIPG Q9Y5X9 2/20 0.39
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 5/20 0.38

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
SCHEMBL14881305 0.89 GAA (0.39) GAAKDM4EHPGDHSD17B10MAPT
SCHEMBL136786 0.85 GAA (0.43) GAAKDM4EHPGDMAPTTSHR
SCHEMBL27875445 0.84 SLC22A12 (0.44) GAAKDM4EHPGDHSD17B10MAPT
SCHEMBL3781271 0.83 UCHL1 (0.43) KDM4EMAPTTSHRNFKB1LMNA
SCHEMBL15941075 0.82 CYP4F2 (0.40) LIPGROCK1F2F11PRSS1
SCHEMBL23582153 0.81 PRSS1 (0.40) KDM4EHPGDHSD17B10MAPTTSHR
SCHEMBL5265730 0.81 GAA (0.40) GAAKDM4EHPGDHSD17B10MAPT
SCHEMBL2724971 0.81 GAA (0.55) GAAHSD17B10TSHRNFKB1TDP1
SCHEMBL16894248 0.79 LPL (0.39) NFKB1LIPGROCK1ALDH1A1F2
SCHEMBL12215765 0.78 LIPG (0.57) HSD17B10LIPGF2F11PRSS1

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-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
WO-2010131030-A1 PYRIDYLUREA DERIVATIVES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131030-A1 PYRIDYLUREA DERIVATIVES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2010-11-18 WO disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO 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 (3 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP GAA 1668/4885KDM4E 2213/4885HPGD 2538/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 GAA 4698/4885KDM4E 4611/4885HPGD 2803/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 GAA 4698/4885KDM4E 4611/4885HPGD 2803/4885

“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.