SCHEMBL13953045

SCHEMBL13953045

COc1ccc(CCCC(C#N)(NC(C)=O)C2OC(C)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.38
F2RL1 P55085 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 2/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
CALM1 P0DP23 1/20 0.36

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
SCHEMBL13953042 0.75 SMN1; SMN2 (0.47) SMN1; SMN2F2RL1ALOX5POLBCALM1
SCHEMBL14499239 0.72 KMT2A (0.45) SMN1; SMN2KMT2AF2RL1ALOX5
SCHEMBL13953254 0.67 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AF2RL1ALOX5POLB
SCHEMBL13953253 0.66 ALOX5 (0.45) SMN1; SMN2KMT2AF2RL1ALOX5
SCHEMBL7220797 0.65 ACACB (0.46) SMN1; SMN2KMT2AF2RL1POLB
SCHEMBL7425458 0.64 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AF2RL1MEN1POLB
SCHEMBL7216025 0.64 ALDH1A1 (0.42) SMN1; SMN2KMT2ARAB9AMEN1NPC1
SCHEMBL13675862 0.64 CALM1 (0.50) KMT2AKDM4EALOX5POLBCALM1
SCHEMBL27446239 0.64 SMN1; SMN2 (0.81) SMN1; SMN2POLB
SCHEMBL8495718 0.64 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AF2RL1ALOX5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042772-A1 COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY TRANSITION THERAPEUTICS INC. (CA) 2009-02-12 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-20090042772-A1 COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY CPT1A, CPT1B, PNLIP SMN1; SMN2 689/4885KMT2A 4086/4885F2RL1 1667/4885

“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.