SCHEMBL16353103

SCHEMBL16353103

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(Cc2ccc(C(=O)CN3C(=O)CCC3=O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
S1PR2 O95136 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HDAC1 Q13547 2/20 0.37

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
SCHEMBL9610826 0.83 CHKA (0.40) ALDH1A1SMN1; SMN2CYP3A4CYP2D6MAPT
SCHEMBL8510290 0.82 LTA4H (0.50) ALDH1A1SMN1; SMN2CYP3A4CYP2D6MAPT
SCHEMBL9610825 0.81 VEGFA (0.39) ALDH1A1SMN1; SMN2VEGFAEGLN1DRD2
SCHEMBL17920218 0.79 CHKA (0.44) ALDH1A1SMN1; SMN2CYP3A4CYP2D6MAPT
SCHEMBL12732683 0.78 LMNA (0.53) ALDH1A1SMN1; SMN2VEGFAEGLN1HDAC6
SCHEMBL9610831 0.78 LMNA (0.53) ALDH1A1SMN1; SMN2VEGFAEGLN1HDAC6
SCHEMBL19422363 0.78 CHKA (0.39) ALDH1A1MAPTVEGFAEGLN1HDAC6
SCHEMBL10063608 0.78 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL9610817 0.77 ITGB3 (0.46) ALDH1A1SMN1; SMN2VEGFAEGLN1DRD2
SCHEMBL25843065 0.77 LTA4H (0.46) ALDH1A1SMN1; SMN2CYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028800-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-05-12 US disclosed
US-9028800-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-05-12 US disclosed
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2014-12-25 US disclosed
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2014-12-25 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-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS ALDH1A1 4559/4885SMN1; SMN2 1351/4885RAB9A 790/4885

“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.