SCHEMBL10301522

SCHEMBL10301522

C=C(C)C(=O)NCCCCCCCCCCC[N+](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ACHE P22303 3/20 0.41
APEX1 P27695 3/20 0.41
NFKB1 P19838 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PMP22 Q01453 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
PAOX Q6QHF9 2/20 0.37
ADRA1A P35348 1/20 0.36
DNM1 Q05193 2/20 0.35
EPHX1 P07099 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
SCHEMBL18331519 1.00 KDM4E (0.43) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL2944413 1.00 KDM4E (0.43) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL2952605 1.00 KDM4E (0.43) KDM4EMAPK1HIF1AMEN1KMT2A
Bromide SCHEMBL23607539 0.98 MEN1 (0.43) KDM4EMAPK1HIF1AMEN1KMT2A
Hydrochloric Acid SCHEMBL21777097 0.98 APEX1 (0.43) KDM4EMAPK1HIF1AMEN1KMT2A
Iodide SCHEMBL21777501 0.98 KDM4E (0.42) KDM4EMAPK1HIF1AMEN1KMT2A
Hydrochloric Acid SCHEMBL23607542 0.98 APEX1 (0.43) KDM4EMAPK1HIF1AMEN1KMT2A
Iodide SCHEMBL23607547 0.98 KDM4E (0.42) KDM4EMAPK1HIF1AMEN1KMT2A
Bromide SCHEMBL30637253 0.98 MEN1 (0.43) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL18906117 0.98 ACHE (0.42) KDM4EMAPK1HIF1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156772-B2 Fluoride-releasing compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-13 US disclosed
US-20140088308-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-03-27 US disclosed
US-20120264939-A1 Fluoride-Releasing Compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-18 US disclosed
US-8217173-B2 Fluoride-releasing compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-8217173-B2 Fluoride-releasing compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20100261902-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2010-10-14 US disclosed
US-20100261902-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2010-10-14 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 (3 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-20140088308-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD KDM4E 3444/4885MAPK1 3945/4885HIF1A 2166/4885
US-20120264939-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD KDM4E 3444/4885MAPK1 3945/4885HIF1A 2166/4885
US-20100261902-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD KDM4E 3444/4885MAPK1 3945/4885HIF1A 2166/4885

“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.