SCHEMBL5070059

SCHEMBL5070059

O=C(NCC(F)(F)F)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.37
JAK1 P23458 11/20 0.36
JAK2 O60674 7/20 0.36
JAK3 P52333 7/20 0.36
TYK2 P29597 1/20 0.36
ACKR3 P25106 1/20 0.33
EPHX1 P07099 1/20 0.33
LIPA P38571 1/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
HTT P42858 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
SCHEMBL2585149 0.86 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
Hydrochloric Acid SCHEMBL15826105 0.84 SMN1; SMN2 (0.52) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
SCHEMBL14808770 0.78 SMN1; SMN2 (0.66) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
SCHEMBL15200303 0.77 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
SCHEMBL16480146 0.77 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
SCHEMBL14842997 0.77 SMN1; SMN2 (0.63) HSD17B10SMN1; SMN2EPHX1
SCHEMBL5070066 0.75 HPGDS (0.33)
SCHEMBL3433725 0.74 SMN1; SMN2 (0.60) HSD17B10SMN1; SMN2KMT2AEPHX1HTT
SCHEMBL15421898 0.74 GNAI3 (0.49) HSD17B10SMN1; SMN2KMT2AJAK1JAK2
SCHEMBL10270138 0.73 HSD17B10 (0.46) HSD17B10SMN1; SMN2KMT2AJAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008524280-A 2008-07-10 JP claimed
EP-1831158-A1 NOVEL CYCLOHEXANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP claimed
US-7253282-B2 Hexafluoroisopropanol substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US claimed
WO-2006066779-A1 NOVEL CYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO claimed
US-20060135601-A1 Novel hexafluoroisopropanol substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
EP-1831158-A1 NOVEL CYCLOHEXANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-7253282-B2 Hexafluoroisopropanol substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed
WO-2006066779-A1 NOVEL CYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
US-20060135601-A1 Novel hexafluoroisopropanol substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US 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-20060135601-A1 Novel hexafluoroisopropanol substituted cyclohexane derivatives NR1H3, NR1H2, NR1I2 HSD17B10 667/4885SMN1; SMN2 4559/4885KMT2A 3025/4885

“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.