SCHEMBL4101909

SCHEMBL4101909

FC(F)F.O=C(O)CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.42
ALDH1A1 P00352 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CPT2 P23786 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.30
LDHA P00338 1/20 0.30
SRR Q9GZT4 1/20 0.30
LMNA P02545 1/20 0.30
ALKBH5 Q6P6C2 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
SCHEMBL185832 0.91
SCHEMBL3172604 0.88
SCHEMBL5331269 0.88
SCHEMBL9746820 0.88
Hydrochloric Acid SCHEMBL1372205 0.88
SCHEMBL1533989 0.88
Methyl Alcohol SCHEMBL9196640 0.85 HMGCR (0.48) ACLYALDH1A1HMGCRCHRM1TBXA2R
Acetic Acid SCHEMBL288009 0.82 HMGCR (0.46) ACLYALDH1A1HMGCRCHRM1TBXA2R
Methylene Chloride SCHEMBL18039031 0.82 ACLY (0.42) ACLYALDH1A1HMGCRCHRM1TBXA2R
Acetic Acid SCHEMBL29833661 0.80 HMGCR (0.43) ACLYALDH1A1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221543-A1 NEW CORTICOSTEROIDS NICOX S A. (FR) 2009-09-03 US disclosed
US-20060052594-A1 New corticosteroids NICOX S.A. (FR) 2006-03-09 US disclosed
EP-1470150-A2 CORTICOSTEROIDS NITRATE DERIVATIVES Nicox S.A. (FR) 2004-10-27 EP disclosed
WO-2003064443-A2 NEW CORTICOSTEROIDS NICOX S.A. (FR) 2003-08-07 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-20090221543-A1 NEW CORTICOSTEROIDS CYP11B1, NR3C1, NR3C2 ACLY 3540/4885ALDH1A1 1055/4885HMGCR 316/4885
US-20060052594-A1 New corticosteroids CYP11B1, NR3C1, NR3C2 ACLY 3540/4885ALDH1A1 1055/4885HMGCR 316/4885

“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.