SCHEMBL10301547

SCHEMBL10301547

O=c1c(OCc2ccccc2)cccn1CCCN(CCCCCCO)CCCn1cccc(OCc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
GRM2 Q14416 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
ALPG P10696 1/20 0.36
PTK2B Q14289 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 2/20 0.35
LIPE Q05469 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
SCHEMBL3074370 0.88 MAPK14 (0.47) MAPK14GRM2ATP4AATP4BLTA4H
SCHEMBL3066547 0.82 POLB (0.40) MAPK14GRM2HRH3
SCHEMBL3072834 0.79 MAPK14 (0.51) MAPK14GRM2ALPGPTK2BKMT2A
SCHEMBL20382950 0.78 MAPK14 (0.47) MAPK14GRM2ATP4AATP4BLTA4H
SCHEMBL20382949 0.78 MAPK14 (0.50) MAPK14GRM2ATP4AATP4BKMT2A
SCHEMBL3072830 0.78 MAPK14 (0.49) MAPK14GRM2ALPGPTK2B
SCHEMBL10301549 0.77 MAPK14 (0.46) MAPK14GRM2ADRA1DADRA1AADRA1B
SCHEMBL20382961 0.75 L3MBTL1 (0.41) MAPK14GRM2
SCHEMBL20382952 0.75 MAPK14 (0.47) MAPK14GRM2ALPGPTK2BKMT2A
SCHEMBL20382942 0.75 MAPK14 (0.52) MAPK14GRM2ATP4AATP4BKMT2A

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-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-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-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
WO-2008100907-A2 FLUORIDE-RELEASING COMPOSITIONS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND ARGRICULTURAL AND MECHANICAL COLLEGE (US) 2008-08-21 WO 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 MAPK14 4335/4885GRM2 872/4885HRH3 1438/4885
US-20120264939-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD MAPK14 4335/4885GRM2 872/4885HRH3 1438/4885
US-20100261902-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD MAPK14 4335/4885GRM2 872/4885HRH3 1438/4885

“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.