SCHEMBL5077477

SCHEMBL5077477

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HCAR2 Q8TDS4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 7/20 0.33
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
CA9 Q16790 7/20 0.33
CA7 P43166 4/20 0.33
CA14 Q9ULX7 4/20 0.33
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ABCB1 P08183 1/20 0.31
PDCD1 Q15116 1/20 0.30

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
SCHEMBL682227 1.00 TSHR (0.48) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL9999821 1.00 TSHR (0.48) TSHRHCAR2SMN1; SMN2CA12CA1
Bromide SCHEMBL28560064 0.97 TSHR (0.46) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL28965299 0.88 TSHR (0.53) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL22267735 0.80 SMN1; SMN2 (0.33) TSHRHCAR2SMN1; SMN2ABCB1
SCHEMBL8019158 0.80 TSHR (0.46) TSHRHCAR2CA12CA1CA2
SCHEMBL8272086 0.78 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL22236616 0.78 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL2246643 0.78 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL19798081 0.78 SMN1; SMN2 (0.32) TSHRHCAR2SMN1; SMN2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9362595-B2 Nonaqueous electrolytic solution and energy storage device using same UBE INDUSTRIES, LTD. (JP) 2016-06-07 US claimed
US-20140030609-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2014-01-30 US claimed
US-20240025108-A1 IN SITU CHEMICAL MODIFICATION DURING ADDITIVE MANUFACTURING DEPARTMENT OF ENERGY 2024-01-25 US disclosed
US-20230357207-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS BCP3 PTY LIMITED (AU) 2023-11-09 US disclosed
US-20230250338-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-08-10 US disclosed
US-20230147779-A1 POLYMER WITH CATIONIC AND HYDROPHOBIC SIDE CHAINS GENEDIT INC. 2023-05-11 US disclosed
US-11535645-B2 6-mercaptopurine nucleoside analogues LIAO XIBIN (US) 2022-12-27 US disclosed
US-20210380628-A1 6-MERCAPTOPURINE NUCLEOSIDE ANALOGUES LIAO XIBIN (US) 2021-12-09 US disclosed
CN-111123643-A Protective composition and method for forming photoresist pattern 台湾积体电路制造股份有限公司 2020-05-08 CN disclosed
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 US disclosed
CN-108352450-A Crosslinkable polymeric material for the dielectric layer in electronic device 阿尔塔纳股份公司 2018-07-31 CN disclosed
US-20120027803-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 US disclosed
US-20090156828-A1 Novel Compounds and Methods for Forming Taxanes and Using the Same TAPESTRY PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20080107747-A1 Capsaicin, an inflammation control component , a mixture of menthyl lactate, ethyl menthane carboxamide, and methyl diisopropyl propionamide, and menthone glycerin acetal, a heat absorbing component, circulation increasing component, anti-inflammatory complex; extended and time controlled release UNION BANK OF CALIFORNIA, N.A., AS ADMINISTRATIVE AGENT 2008-05-08 US disclosed
US-7282224-B1 Pain relief composition GUTHY-RENKER CORPORATION (US) 2007-10-16 US disclosed
CN-1190477-C Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2005-02-23 CN disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed
CN-1349555-A Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2002-05-15 CN 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 (8 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-20120027803-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, CETP, APOB TSHR 2854/4885HCAR2 1153/4885SMN1; SMN2 2222/4885
US-11535645-B2 6-mercaptopurine nucleoside analogues TPMT, TYMP, HPRT1 TSHR 3962/4885HCAR2 4055/4885SMN1; SMN2 476/4885
US-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP TSHR 4170/4885HCAR2 1646/4885SMN1; SMN2 1308/4885
US-20090156828-A1 Novel Compounds and Methods for Forming Taxanes and Using the Same PAICS, TOP1, TOP2A TSHR 4315/4885HCAR2 3264/4885SMN1; SMN2 3177/4885
US-20210380628-A1 6-MERCAPTOPURINE NUCLEOSIDE ANALOGUES TPMT, TYMP, HPRT1 TSHR 3962/4885HCAR2 4055/4885SMN1; SMN2 476/4885
US-20230147779-A1 POLYMER WITH CATIONIC AND HYDROPHOBIC SIDE CHAINS PARG, PARN, PCNA TSHR 2616/4885HCAR2 2185/4885SMN1; SMN2 628/4885
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES ACACA, ACAT2, ACACB TSHR 3248/4885HCAR2 116/4885SMN1; SMN2 2808/4885
US-20230357207-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS MUC1, MPO, SERPINB1 TSHR 1561/4885HCAR2 1909/4885SMN1; SMN2 4712/4885

“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.