SCHEMBL15047573

SCHEMBL15047573

CC(C)(C)OC(=O)CN1CCN(CC(=O)NCCNC(=O)CCC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SIGMAR1 Q99720 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.40
CACNA1H O95180 1/20 0.40
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL31399675 0.93 SIGMAR1 (0.44) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H
SCHEMBL7130844 0.91 ALDH1A1 (0.53) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H
SCHEMBL15775091 0.91 ALDH1A1 (0.42) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H
SCHEMBL25575666 0.88 ADRA1A (0.42) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H
SCHEMBL6014048 0.88 ADRA1A (0.42) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H
SCHEMBL27141250 0.86 ALDH1A1 (0.42) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H
SCHEMBL27138415 0.86 ALDH1A1 (0.42) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H
SCHEMBL32660247 0.86 SIGMAR1 (0.35) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H
SCHEMBL15802919 0.84 ALDH1A1 (0.46) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H
SCHEMBL7157890 0.84 SIGMAR1 (0.40) ALDH1A1SIGMAR1SMN1; SMN2TDP1CACNA1H

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-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS UNIVERSITE DE CERGY PONTOISE (FR) 2014-10-23 US disclosed
WO-2013088395-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-06-20 WO 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-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS SSTR4, SSTR3, SSTR2 ALDH1A1 2283/4885SIGMAR1 352/4885SMN1; SMN2 4675/4885

“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.