SCHEMBL988428

SCHEMBL988428

COC(=O)C(C)(Br)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
DGAT1 O75907 1/20 0.41
SRC P12931 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
ELANE P08246 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
PTPN1 P18031 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
SCHEMBL4300520 0.86 DGAT1 (0.46) KCNN4DGAT1SRCALDH1A1TSHR
SCHEMBL21687493 0.79 DGAT1 (0.41) KCNN4DGAT1SRCALDH1A1ELANE
SCHEMBL1292273 0.76
SCHEMBL27622606 0.75
SCHEMBL117832 0.75
SCHEMBL28060314 0.73 DGAT1 (0.37) KCNN4DGAT1SRCALDH1A1TSHR
SCHEMBL2097450 0.72 DGAT1 (0.44) KCNN4DGAT1SRCALDH1A1TSHR
SCHEMBL1010735 0.72 DGAT1 (0.56) KCNN4DGAT1SRCALDH1A1TSHR
Pivalate SCHEMBL29716693 0.72 DGAT1 (0.44) KCNN4DGAT1SRCALDH1A1TSHR
SCHEMBL5613155 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227696-A1 Multifunctional Fluorinated Compound, Fluorinated Polymers Made from the Compound, and Related Methods 3M INNOVATIVE PROPERTIES COMPANY 2022-07-21 US disclosed
EP-3980433-A1 MULTIFUNCTIONAL FLUORINATED COMPOUND, FLUORINATED POLYMERS MADE FROM THE COMPOUND, AND RELATED METHODS 3M Innovative Properties Company (US) 2022-04-13 EP disclosed
CN-113906038-A Multifunctional fluorinated compounds, fluorinated polymers made therefrom, and related methods 3M创新有限公司 2022-01-07 CN disclosed
WO-2020245724-A1 MULTIFUNCTIONAL FLUORINATED COMPOUND, FLUORINATED POLYMERS MADE FROM THE COMPOUND, AND RELATED METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-12-10 WO disclosed
US-8841454-B2 Functionalized carbon nanostructures which are soluble in hydrocarbons and method for preparation EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-23 US disclosed
US-8435931-B2 Reduced friction lubricating oils containing functionalized carbon nanomaterials EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-05-07 US disclosed
EP-2454352-A1 REDUCED FRICTION LUBRICATING OILS CONTAINING FUNCTIONALIZED CARBON NANOMATERIALS ExxonMobil Research and Engineering Company (US) 2012-05-23 EP disclosed
US-20110015423-A1 Functionalized Carbon Nanostructures Which are Soluble in Hydrocarbons and Method for Preparation EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-01-20 US disclosed
US-20110015106-A1 Reduced Friction Lubricating Oils Containing Functionalized Carbon Nanomaterials EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-01-20 US disclosed
WO-2011009025-A1 REDUCED FRICTION LUBRICATING OILS CONTAINING FUNCTIONALIZED CARBON NANOMATERIALS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-01-20 WO disclosed
WO-2011009026-A1 FUNCTIONALIZED CARBON NANOSTRUCTURES WHICH ARE SOLUBLE IN HYDROCARBONS AND METHOD FOR PREPARATION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-01-20 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-20110015423-A1 Functionalized Carbon Nanostructures Which are Soluble in Hydrocarbons and Method for Preparation ALKBH3, HCCS, CCL11 KCNN4 3959/4885DGAT1 586/4885SRC 2406/4885
US-20220227696-A1 Multifunctional Fluorinated Compound, Fluorinated Polymers Made from the Compound, and Related Methods NR1H2, NR1H3, NR1I2 KCNN4 855/4885DGAT1 1655/4885SRC 1613/4885

“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.