SCHEMBL8667150

SCHEMBL8667150

CC(C)OC(=O)C(F)(F)Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTPN1 P18031 1/20 0.39
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 6/20 0.34
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA7 P43166 6/20 0.34
CA9 Q16790 6/20 0.34
CA14 Q9ULX7 6/20 0.34
ADRA1A P35348 2/20 0.34
USP2 O75604 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8024485 0.85 TSHR (0.42) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL19972862 0.81
SCHEMBL826905 0.79 TSHR (0.46) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL28890230 0.79 TSHR (0.46) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL9678131 0.79 TSHR (0.46) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL543811 0.78 MAPT (0.35) MAPT
SCHEMBL4306399 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL12128600 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL454299 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL5824309 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543081-B Preparation method of 1-difluoroalkylisoquinoline 四川理工学院 2020-02-18 CN claimed
CN-110536885-B Process for producing difluoromethylene compound 佐藤制药株式会社 2024-03-08 CN disclosed
US-11084792-B2 Method for producing difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2021-08-10 US disclosed
US-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 US disclosed
EP-3617197-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2020-03-04 EP disclosed
CN-110536885-A Method for producing difluoromethylene compound SATO PHARMA 2019-12-03 CN disclosed
CN-104761446-A Preparation method of 2-bromo-2,2-difluoroacetyl chloride and 2-bromo-2,2-difluoro acetate and recycling method of waste difluoro trichloroethane JIANGXI SUNWAY CHEM CO LTD 2015-07-08 CN disclosed
CN-1095825-C Process for preparing alkyl halodifluoroacetates ATOCHEM ELF SA (FR) 2002-12-11 CN disclosed
US-5780673-A REACTING 1,1-DIFLUOROTETRAHALOETHANE WITH ALCOHOL IN PRESENCE OF OXYGEN AND FREE RADICAL INITIATOR ELF ATOCHEM S.A. (FR) 1998-07-14 US disclosed
CN-1169419-A Process for preparation of alkyl halodifluoroacetates ATOCHEM ELF SA (FR) 1998-01-07 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 (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-20200190038-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND HACL2, MGLL, ABL1 TSHR 439/4885MEN1 551/4885KMT2A 2108/4885
US-11084792-B2 Method for producing difluoromethylene compound HACL2, MGLL, ABL1 TSHR 439/4885MEN1 551/4885KMT2A 2108/4885

“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.