SCHEMBL11938191

SCHEMBL11938191

CCN(CC)C(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)N(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 3/20 0.35
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP8 P22894 1/20 0.32

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
SCHEMBL11938256 0.92 MLYCD (0.32) MLYCD
SCHEMBL19299845 0.91 MLYCD (0.37) MLYCDLMNAMEN1KMT2AMMP1
SCHEMBL13915080 0.81 — —
SCHEMBL13915136 0.79 KDM4E (0.43) MEN1KMT2A
SCHEMBL13915081 0.78 SMN1; SMN2 (0.30) —
SCHEMBL13915116 0.77 — —
SCHEMBL13915119 0.77 MLYCD (0.32) MLYCDMEN1KMT2A
SCHEMBL249531 0.74 MLYCD (0.45) MLYCDLMNAMEN1KMT2AMMP1
SCHEMBL23618253 0.74 MLYCD (0.33) MLYCDLMNA
SCHEMBL21235948 0.72 MLYCD (0.39) MLYCDLMNAMEN1KMT2AMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227610-B2 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques CARNEGIE MELLON UNIVERSITY (US) 2012-07-24 — — US disclosed
US-20090074673-A1 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques CARNEGIE MELLON UNIVERSITY (US) 2009-03-19 — — 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-20090074673-A1 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques NES, MKI67, CD68 MLYCD 1269/4885LMNA 130/4885MEN1 261/4885

“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.

Send feedback