SCHEMBL6322207

SCHEMBL6322207

O=C(O)CCC(F)(Cl)C(F)(F)Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL7826082 0.81 LMNA (0.38) LMNAALKBH5SUCNR1EGLN1TSHR
SCHEMBL3698957 0.76 LMNA (0.38) LMNAALKBH5SUCNR1EGLN1TSHR
SCHEMBL8344401 0.76 ACLY (0.38) TSHRHIF1AALDH1A1
SCHEMBL9257550 0.75
SCHEMBL7819856 0.75
SCHEMBL7023611 0.75
SCHEMBL7834683 0.73 LMNA (0.40) LMNAALKBH5SUCNR1EGLN1TSHR
Hydrochloric Acid SCHEMBL9255230 0.73 LMNA (0.40) LMNAALKBH5SUCNR1EGLN1TSHR
SCHEMBL6337778 0.72 APP (0.33)
SCHEMBL8064464 0.71 ALDH1A1 (0.40) LMNAALKBH5SUCNR1EGLN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222461-A1 Method for the production of substituted trifluoroethylenes BAYER CROPSCIENCE AG (DE) 2005-10-06 US disclosed
EP-1506150-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED TRIFLUOROETHYLENES Bayer CropScience Aktiengesellschaft (DE) 2005-02-16 EP disclosed
WO-2003095401-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED TRIFLUOROETHYLENES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-11-20 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1998024744-A1 POLYHALOGEN HEXENES PRODUCTION THEREOF AND PRODUCTION OF HALOGENATED C4 CARBOXYLIC ACIDS FROM THESE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-11 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 (1 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-20050222461-A1 Method for the production of substituted trifluoroethylenes CBR3, HDHD5, CBR1 LMNA 3839/4885ALKBH5 1087/4885SUCNR1 4176/4885

“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.