SCHEMBL9612243

SCHEMBL9612243

CC(=O)CN1CCN(CC(=O)O)CCN(Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LTA4H P09960 3/20 0.50
GAA P10253 2/20 0.50
THRB P10828 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
HDAC4 P56524 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC1 Q13547 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL9610829 0.92 ALDH1A1 (0.57) ALDH1A1LTA4HGAATHRBSMN1; SMN2
SCHEMBL4424464 0.92 ALDH1A1 (0.57) ALDH1A1LTA4HGAATHRBSMN1; SMN2
SCHEMBL15694240 0.86 GAA (0.51) ALDH1A1LTA4HGAATHRBSMN1; SMN2
SCHEMBL21043978 0.84 SIGMAR1 (0.53) ALDH1A1LTA4HGAATHRBSMN1; SMN2
SCHEMBL10074441 0.84 HDAC1 (0.62) ALDH1A1LTA4HGAATHRBSMN1; SMN2
SCHEMBL29299520 0.83 HRH3 (0.51) ALDH1A1SMN1; SMN2LMNAHRH3KDM4E
SCHEMBL13673397 0.82 LTA4H (0.48) ALDH1A1LTA4HGAATHRBSMN1; SMN2
SCHEMBL14997825 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNAMAPTCYP3A4
SCHEMBL18292042 0.80 KDM4E (0.63) ALDH1A1SMN1; SMN2HRH3KDM4EMEN1
SCHEMBL22361385 0.80 KDM4E (0.63) ALDH1A1SMN1; SMN2HRH3KDM4EMEN1

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-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 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-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS ALDH1A1 4559/4885LTA4H 4557/4885GAA 654/4885

“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.