SCHEMBL13650702

SCHEMBL13650702

CC(C)CC(=O)NNC(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.41
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 5/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PTGS2 P35354 1/20 0.35
PSMB5 P28074 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL23081624 0.81 MAOA (0.39) ALDH1A1HPGDLMNAMAOAMAOB
SCHEMBL19090941 0.78 MME (0.36) ALDH1A1TDP1LMNAMAOAMAOB
SCHEMBL19091220 0.78 SMN1; SMN2 (0.44) SMN1; SMN2TP53
SCHEMBL3945128 0.77
SCHEMBL19090787 0.77
SCHEMBL7950812 0.77
SCHEMBL3355493 0.76
SCHEMBL5365359 0.75 ALDH1A1 (0.48) ALDH1A1TDP1PTPN1CA2SMN1; SMN2
SCHEMBL6343473 0.74 MEN1 (0.46) ALDH1A1TDP1PTPN1CA2SMN1; SMN2
SCHEMBL6633417 0.73 ALDH1A1 (0.40) ALDH1A1TDP1PTPN1CA2SMN1; SMN2

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-9562113-B2 Labeled alginate conjugates for molecular imaging applications BELLEROPHON BCM LLC (US) 2017-02-07 US disclosed
US-20090246211-A1 Molecular constructs suitable for targeted conjugates TAPESTRY PHARMACEUTICALS, INC. 2009-10-01 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-20090246211-A1 Molecular constructs suitable for targeted conjugates MRPL21, QSOX1, MLX ALDH1A1 820/4885TDP1 3844/4885PTPN1 2419/4885

“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.