SCHEMBL3136912

SCHEMBL3136912

CC(C)(C)C(NCCCO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.31
PPARA Q07869 1/20 0.30
CAMK2A Q9UQM7 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
SCHEMBL1337928 0.96 TDP1 (0.42) PTGS1KCNH2TDP1MMP1MMP2
SCHEMBL2524548 0.84 SMN1; SMN2 (0.46) MMP1MMP2MMP3MMP7SMN1; SMN2
SCHEMBL13688891 0.84 SMN1; SMN2 (0.42) MMP1MMP2MMP3MMP7SMN1; SMN2
SCHEMBL10877449 0.84 SMN1; SMN2 (0.46) MMP1MMP2MMP3MMP7SMN1; SMN2
SCHEMBL2526531 0.84 SMN1; SMN2 (0.46) MMP1MMP2MMP3MMP7SMN1; SMN2
SCHEMBL10230795 0.79 CA2 (0.35) MEN1GAAKMT2ACA2
SCHEMBL10230783 0.79 CA2 (0.35) MEN1GAAKMT2ACA2
SCHEMBL2429929 0.78 MAPT (0.40) MMP1MMP2MMP3MMP7ALDH1A1
SCHEMBL3749598 0.78 GGT1 (0.42) PTGS1ALDH1A1CA2
SCHEMBL12937421 0.74 CA2 (0.34) PTGS1TDP1MMP1MMP2MMP3

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-7641914-B2 for forming conjugates (liposomes, complexes, nanoparticles) with biologically active substances and releasing them into cellular tissues or acidic compartments, or for use as nonionic surfactant for stabilizing particles encapsulating biodrugs GENCELL, S.A. (FR) 2010-01-05 US disclosed
US-20050222434-A1 Acid-sensitive compounds, their preparation and uses GENCELL S.A. 2005-10-06 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-20050222434-A1 Acid-sensitive compounds, their preparation and uses LIPA, PHOSPHO1, ACP1 PTGS1 2809/4885KCNH2 4597/4885TDP1 3813/4885

“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.