SCHEMBL10301520

SCHEMBL10301520

C=C(C)C(=O)OCCCCCCCCCCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTT P42858 3/20 0.54
DNM1 Q05193 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
TSHR P16473 2/20 0.48
PSMD14 O00487 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
MC4R P32245 1/20 0.40
RAD52 P43351 1/20 0.40
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL9133478 1.00 MEN1 (0.55) MEN1KMT2ATP53MAPK1SMN1; SMN2
Bromide SCHEMBL32677450 0.99 MEN1 (0.54) MEN1KMT2ATP53MAPK1SMN1; SMN2
Bromide SCHEMBL16166943 0.99 MEN1 (0.54) MEN1KMT2ATP53MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL14815769 0.99 MEN1 (0.52) MEN1KMT2ATP53MAPK1SMN1; SMN2
Fluoride Ion SCHEMBL14815771 0.97 MEN1 (0.51) MEN1KMT2ATP53MAPK1SMN1; SMN2
Bromide SCHEMBL14815770 0.97 MEN1 (0.51) MEN1KMT2ATP53MAPK1SMN1; SMN2
Iodide SCHEMBL14815646 0.97 MEN1 (0.51) MEN1KMT2ATP53MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL3899764 0.95 MEN1 (0.50) MEN1KMT2ATP53MAPK1SMN1; SMN2
SCHEMBL7917382 0.95 MEN1 (0.50) MEN1KMT2ATP53MAPK1SMN1; SMN2
Fluoride Ion SCHEMBL14815193 0.93 MEN1 (0.49) MEN1KMT2ATP53MAPK1SMN1; SMN2

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 8 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-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 MEN1 1176/4885KMT2A 3397/4885TP53 3925/4885
US-20120264939-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD MEN1 1176/4885KMT2A 3397/4885TP53 3925/4885
US-20100261902-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD MEN1 1176/4885KMT2A 3397/4885TP53 3925/4885

“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.