SCHEMBL2830033

SCHEMBL2830033

COC(=O)CC(CC(=O)OC)(OC)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
HSD17B10 Q99714 3/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TET2 Q6N021 1/20 0.37
LMNA P02545 4/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 2/20 0.35
DGAT1 O75907 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GLA P06280 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
KEAP1 Q14145 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL1306802 0.98 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL7681385 0.88 MGAM (0.35) TSHRHSD17B10MGAMGAASI
SCHEMBL3282107 0.84 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL10011809 0.83 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL11065243 0.82 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL2420651 0.80 USP2 (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL242271 0.80 GAA (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL10011332 0.80 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL28587367 0.80 ALDH1A1 (0.45) HSD17B10GAALMNAALDH1A1KMT2A
SCHEMBL28678362 0.79 POLB (0.45) TSHRHSD17B10LMNAUSP2RECQL

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9976049-B2 Hydrophilic monolayer films MITSUI CHEMICALS, INC. (JP) 2018-05-22 US disclosed
US-20170044393-A1 HYDROPHILIC MONOLAYER FILMS MITSUI CHEMICALS, INC. (JP) 2017-02-16 US disclosed
US-20150344711-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATTER, AND HIGH-MOLECULAR-WEIGHT POLYMERIZATION INITIATOR FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed
US-9130244-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-09-08 US disclosed
EP-2908376-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2015-08-19 EP disclosed
US-8470886-B2 Topical ibuprofen formulations NUVO RESEARCH INC. (CA) 2013-06-25 US disclosed
US-20120232152-A1 TOPICAL IBUPROFEN FORMULATIONS NUVO RESEARCH INC. 2012-09-13 US disclosed
EP-2479831-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-07-25 EP disclosed
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
WO-2010101477-A1 HYDRATE INHIBITORS M-I SWACO NORGE AS (NO) 2010-09-10 WO disclosed
US-5719138-A CONTACTING WITH A DICITRATE CYCLIC DIESTER UNIVERSITY OF FLORIDA (US) 1998-02-17 US disclosed
US-5607964-A ANTIDEPOSIT AGENTS USING DICITRATE CYCLIC DIESTERS UNIVERSITY OF FLORIDA (US) 1997-03-04 US disclosed
US-5604103-A USING DICITRATE CYCLIC DIESTER UNIVERSITY OF FLORIDA (US) 1997-02-18 US disclosed
US-5601804-A ANTIPLAQUE AGENT THE UNIVERSITY OF FLORIDA (US) 1997-02-11 US disclosed
US-5550259-A DICITRATE CYCLIC DIESTER CAN BE USED TO PREVENT OR REDUCE THE EFFECTS OF CALCIFICATION-RELATED DISEASE THE UNIVERSITY OF FLORIDA (US) 1996-08-27 US disclosed
EP-0704057-A1 NOVEL CLINICAL MARKER AND THERAPEUTIC AGENT IN KIDNEY STONE DISEASE AND METHODS OF USE UNIVERSITY OF FLORIDA (US) 1996-04-03 EP disclosed
WO-1995000844-A1 NOVEL CLINICAL MARKER AND THERAPEUTIC AGENT IN KIDNEY STONE DISEASE AND METHODS OF USE UNIVERSITY OF FLORIDA (US) 1995-01-05 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 (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-20120232152-A1 TOPICAL IBUPROFEN FORMULATIONS ACSL1, ACSL6, ACSL4 TSHR 4880/4885HSD17B10 198/4885MGAM 2352/4885
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME SLC8A1, OR10J3, SLC8B1 TSHR 3669/4885HSD17B10 1563/4885MGAM 4087/4885

“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.