SCHEMBL543653

SCHEMBL543653

CCCCOC(=O)C(F)(F)Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
ESR1 P03372 8/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2D6 P10635 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL544533 0.94 NAAA (0.48) ALDH1A1TSHRESR1LMNAMAPK1
SCHEMBL20460614 0.92 NAAA (0.52) ALDH1A1TSHRESR1LMNAMAPK1
SCHEMBL544683 0.92 NAAA (0.52) ALDH1A1TSHRESR1LMNAMAPK1
SCHEMBL543675 0.87 ALDH1A1 (0.41) ALDH1A1TSHRTDP1ESR1LMNA
SCHEMBL11422785 0.83 ALDH1A1 (0.54) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL196154 0.83 ALDH1A1 (0.54) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL649873 0.81 ALDH1A1 (0.52) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL19105204 0.81 ALDH1A1 (0.52) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL9937877 0.81 ALDH1A1 (0.52) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL16160733 0.81 ALDH1A1 (0.52) ALDH1A1ATMTSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784882-A Synthesis method of polyfluoro compound containing gem-difluoro olefin structure 山东大学 2023-03-14 CN disclosed
CN-108912044-B Method for synthesizing polysubstituted pyridine by using copper-catalyzed alkenyl azide 山东师范大学 2020-09-29 CN disclosed
CN-101687740-B Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS CO LTD 2014-07-02 CN disclosed
US-8222448-B2 Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-8110711-B2 Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2012-02-07 US disclosed
US-20110319652-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-01-20 US disclosed
CN-101687740-A Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt CENTRAL GLASS CO LTD 2010-03-31 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-20110319652-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 ALDH1A1 28/4885ATM 2177/4885TSHR 3752/4885
US-20110015431-A1 Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt HAO2, SULT2A1, CYP2F1 ALDH1A1 28/4885ATM 2177/4885TSHR 3752/4885

“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.