SCHEMBL744871

SCHEMBL744871

CC(C)OCC(O)CN1C(C)(C)CC(O)CC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.31
RAD52 P43351 1/20 0.30
POLB P06746 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
SCHEMBL10972072 0.85 CYP2D6 (0.61) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL11182937 0.83 CYP2D6 (0.60) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL10972848 0.82 KMT2A (0.51) KMT2ACYP2D6LMNATP53
SCHEMBL314269 0.81 KMT2A (0.47) KMT2ACYP2D6
SCHEMBL11366526 0.78 KMT2A (0.48) KMT2ACYP2D6
SCHEMBL10971960 0.78 KMT2A (0.48) KMT2ACYP2D6
SCHEMBL10838714 0.76 CYP2D6 (0.62) KMT2ACYP2D6SMN1; SMN2MEN1LMNA
SCHEMBL11179556 0.75 KMT2A (0.50) KMT2ACYP2D6MEN1LMNA
Succinic Acid SCHEMBL7063254 0.71 KMT2A (0.40) KMT2ACYP2D6
SCHEMBL23641970 0.68 SMN1; SMN2 (0.69) KMT2ACYP2D6SMN1; SMN2MEN1USP2

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-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 KMT2A 3273/4885CYP2D6 2886/4885SMN1; SMN2 3141/4885

“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.