SCHEMBL14499016

SCHEMBL14499016

CC(C)OCCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.45
LTA4H P09960 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HRH1 P35367 2/20 0.39
ACACB O00763 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL12530528 0.88 TSHR (0.50) L3MBTL1TSHRLOXL2KDM4EALDH1A1
SCHEMBL20739187 0.79 TSHR (0.54) L3MBTL1TSHRKDM4EALDH1A1
SCHEMBL92354 0.78 CA1 (0.44) TSHRALDH1A1
SCHEMBL739465 0.78 LOXL2 (0.41) L3MBTL1TSHRLOXL2KDM4EALDH1A1
SCHEMBL12793983 0.77 CHRNA7 (0.52) L3MBTL1CYP1A2CYP2D6HRH1TDP1
SCHEMBL14499021 0.77 CYP1A2 (0.46) ALDH1A1CYP1A2CYP3A4HRH3
SCHEMBL6750266 0.76 LOXL2 (0.42) L3MBTL1LOXL2LTA4HKDM4EALDH1A1
SCHEMBL5402692 0.76 LOXL2 (0.50) L3MBTL1LOXL2LTA4HKDM4EALDH1A1
SCHEMBL7328833 0.75 LMNA (0.30)
SCHEMBL21322106 0.75 TSHR (0.32) L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920063-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-20 US disclosed
US-9920063-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-20 US disclosed
US-9908892-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-06 US disclosed
US-9908892-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-06 US disclosed
US-20160368929-A1 MELAMPOMAGNOLIDE B DERIVATIVES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-12-22 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-9469650-B2 Melampomagnolide B derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-10-18 US disclosed
US-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-07-23 US disclosed
US-20150133444-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-05-14 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 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 (4 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 L3MBTL1 987/4885TSHR 1050/4885LOXL2 4500/4885
US-20150133444-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, STK32B, MMAB L3MBTL1 905/4885TSHR 976/4885LOXL2 4599/4885
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB L3MBTL1 987/4885TSHR 1050/4885LOXL2 4500/4885
US-20160368929-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, STK32B, MMAB L3MBTL1 905/4885TSHR 976/4885LOXL2 4599/4885

“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.