SCHEMBL18786235

SCHEMBL18786235

O=C(O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCNc1ccccc1)NC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.40
▸ NMT1 P30419 10/20 0.38
▸ NMT2 O60551 9/20 0.38
▸ EPHX2 P34913 2/20 0.36
▸ HDAC3 O15379 5/20 0.35
▸ HDAC11 Q96DB2 5/20 0.35
▸ HDAC6 Q9UBN7 5/20 0.35
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC2 Q92769 4/20 0.35
▸ HDAC10 Q969S8 4/20 0.35
▸ HDAC8 Q9BY41 4/20 0.35
▸ NCOR2 Q9Y618 2/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 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
SCHEMBL18760195 0.99 EPHX1 (0.42) EPHX1NMT1NMT2EPHX2HDAC3
SCHEMBL18760191 0.95 NMT1 (0.44) EPHX1NMT1NMT2GRIN1GRIN2A
SCHEMBL23840117 0.94 NMT1 (0.40) EPHX1NMT1NMT2
SCHEMBL22223575 0.92 EPHX1 (0.41) EPHX1NMT1NMT2EPHX2HDAC1
SCHEMBL18785521 0.85 NMT1 (0.37) NMT1NMT2
SCHEMBL20634648 0.84 NMT1 (0.42) NMT1NMT2EPHX2
SCHEMBL23840130 0.84 NMT1 (0.42) NMT1NMT2EPHX2
SCHEMBL20633489 0.84 NMT1 (0.41) NMT1NMT2
SCHEMBL20633487 0.82 NMT1 (0.41) NMT1NMT2GRIN1GRIN2A
SCHEMBL18785522 0.82 NMT1 (0.39) NMT1NMT2GRIN1GRIN2A

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 EPHX1 2084/4885NMT1 364/4885NMT2 797/4885

“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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