SCHEMBL18786157

SCHEMBL18786157

O=C(O)C(CCCCNC1CCCC1)NC(=O)C(CCCCNC1CCCC1)NC(=O)C(CCCCNC1CCCCC1)NC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CPB2 Q96IY4 9/20 0.45
▸ EPHX2 P34913 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ LMNA P02545 1/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ CXCR4 P61073 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL18760224 1.00 SMN1; SMN2 (0.49) SMN1; SMN2CPB2EPHX2HDAC4HDAC1
SCHEMBL18760223 0.94 SMN1; SMN2 (0.52) SMN1; SMN2CPB2EPHX2CXCR4
SCHEMBL23840017 0.80 NMT1 (0.46) —
SCHEMBL18760192 0.80 NMT1 (0.46) —
SCHEMBL22054640 0.79 SMN1; SMN2 (0.45) SMN1; SMN2EPHX2HDAC4HDAC1CXCR4
SCHEMBL20792784 0.79 SMN1; SMN2 (0.45) SMN1; SMN2EPHX2HDAC4HDAC1CXCR4
SCHEMBL20634649 0.79 NMT1 (0.48) —
SCHEMBL20633846 0.79 NMT1 (0.48) —
SCHEMBL24220957 0.77 SMN1; SMN2 (0.41) SMN1; SMN2EPHX2HDAC4HDAC1CXCR4
SCHEMBL23840151 0.77 NMT1 (0.46) —

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-20170112941-A1 VE-CADHERIN BINDING BIOCONJUGATE SYMIC IP, LLC 2017-04-27 — — 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-20170112941-A1 VE-CADHERIN BINDING BIOCONJUGATE EPCAM, CDH1, VCAM1 SMN1; SMN2 4585/4885CPB2 743/4885EPHX2 2054/4885

“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.

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