SCHEMBL3912864

SCHEMBL3912864

CCCC(C)C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 2/20 0.36
NFKB1 P19838 2/20 0.36

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
SCHEMBL18270572 1.00 LMNA (0.42) LMNATSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL18270561 1.00 LMNA (0.42) LMNATSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL6900329 0.86 LMNA (0.48) LMNATSHRALDH1A1TDP1CYP3A4
SCHEMBL7223143 0.85 CA1 (0.55) LMNAFDPSCA1FAAH
SCHEMBL9012298 0.84 FAAH (0.44) TSHRSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL3910294 0.84 LMNA (0.71) LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL28311582 0.83 LMNA (0.55) LMNAFDPSCA1FAAH
SCHEMBL7218183 0.83 LMNA (0.55) LMNAFDPSCA1FAAH
Hydrochloric Acid SCHEMBL28164871 0.83 CA1 (0.53) LMNAFDPSCA1FAAH
SCHEMBL26020483 0.82 LMNA (0.34) LMNATSHRSMN1; SMN2MEN1ALDH1A1

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 37 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
CN-107365262-B A kind of preparation method of 5,5- dimethyl -2- cyano cyclopentanone HANGZHOU UDRAGON CHEMICAL CO., LTD. (CN) 2019-10-29 CN disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed
CN-109503587-A The antitumor action of double heterocycle ribavirin analogs and application 辽宁利锋科技开发有限公司 2019-03-22 CN disclosed
CN-107365262-A A kind of preparation method of 5,5- dimethyl -2- cyano group cyclopentanone 杭州宇龙化工有限公司 2017-11-21 CN disclosed
CN-107216277-A A kind of preparation method of LCZ696 impurity of the drug 东南大学 2017-09-29 CN disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 US disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-7582226-B2 Ester-containing fluid compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-09-01 US disclosed
US-6994799-B2 Ester-containing fluid compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-02-07 US disclosed
US-20040238785-A1 Ester-containing fluid compositions VAN DRIESSCHE EDDY (BE) 2004-12-02 US 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-1259471-A1 ESTER-CONTAINING FLUID COMPOSITIONS Exxonmobil Chemical Patents Inc. (US) 2002-11-27 EP 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
US-20020005503-A1 Ester-containing fluid compositions EXXONMOBIL CHEMICAL PATENTS INC. 2002-01-17 US disclosed
WO-2001047858-A1 ESTER-CONTAINING FLUID COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2001-07-05 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L LMNA 2901/4885TSHR 4488/4885SMN1; SMN2 3665/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE LMNA 1349/4885TSHR 1280/4885SMN1; SMN2 673/4885

“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.