SCHEMBL16913029

SCHEMBL16913029

O=C(O)CCCCCCCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.77
MEN1 O00255 1/20 0.77
ABL1 P00519 1/20 0.77
LMNA P02545 1/20 0.77
PKM P14618 1/20 0.77
IDE P14735 1/20 0.77
MAPK1 P28482 1/20 0.77
KMT2A Q03164 1/20 0.77
RIN1 Q13671 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
FOLH1 Q04609 2/20 0.64
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
PLCD1 P51178 1/20 0.61
CAPN1 P07384 2/20 0.59
HLCS P50747 2/20 0.58
ITGB1 P05556 1/20 0.58
ITGA4 P13612 1/20 0.58

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
SCHEMBL10171661 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL565479 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL383254 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL2153169 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL3143245 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL25417015 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL1270494 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL18257230 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL22975316 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL565248 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2016-12-22 US claimed
US-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-07-23 US claimed
US-9920063-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-20 US disclosed
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2016-12-22 US disclosed
US-9487536-B2 Melampomagnolide B derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-11-08 US disclosed
US-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-07-23 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 (2 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-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB TDP1 3598/4885MEN1 220/4885ABL1 1960/4885
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB TDP1 3598/4885MEN1 220/4885ABL1 1960/4885

“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.