SCHEMBL3074370

SCHEMBL3074370

O=c1c(OCc2ccccc2)cccn1CCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.47
GRM2 Q14416 1/20 0.44
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
ALPG P10696 1/20 0.42
PTK2B Q14289 1/20 0.42
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
LIPE Q05469 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10301547 0.88 MAPK14 (0.40) MAPK14GRM2LTA4HEPHX2ALPG
SCHEMBL3072834 0.87 MAPK14 (0.51) MAPK14GRM2ALPGPTK2BLIPE
SCHEMBL3072830 0.86 MAPK14 (0.49) MAPK14GRM2ALPGPTK2BMAPT
SCHEMBL20382950 0.86 MAPK14 (0.47) MAPK14GRM2LTA4HALPGPTK2B
SCHEMBL20382949 0.86 MAPK14 (0.50) MAPK14GRM2ATP4AATP4BLIPE
SCHEMBL10301549 0.85 MAPK14 (0.46) MAPK14GRM2ADRA1DADRA1AADRA1B
SCHEMBL20382952 0.83 MAPK14 (0.47) MAPK14GRM2ALPGPTK2BKMT2A
SCHEMBL20382942 0.83 MAPK14 (0.52) MAPK14GRM2ATP4AATP4BLIPE
SCHEMBL20382945 0.81 MAPK14 (0.47) MAPK14GRM2LIPEMAPTMAPK1
SCHEMBL271730 0.81 MAPK14 (0.68) MAPK14MAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682430-B2 Alpha-emitting complexes BAYER AS (NO) 2020-06-16 US disclosed
US-20170319721-A1 ALPHA-EMITTING COMPLEXES BAYER AS (NO) 2017-11-09 US disclosed
US-9724436-B2 Alpha-emitting complexes BAYER AS (NO) 2017-08-08 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-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-20140088308-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-03-27 US disclosed
US-8598381-B2 Fluoride-releasing compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2013-12-03 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-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-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
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 (5 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 872/4885LTA4H 2583/4885
US-10682430-B2 Alpha-emitting complexes TK1, KPNA1, HPRT1 MAPK14 4881/4885GRM2 4370/4885LTA4H 3432/4885
US-20120264939-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD MAPK14 4335/4885GRM2 872/4885LTA4H 2583/4885
US-20100261902-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD MAPK14 4335/4885GRM2 872/4885LTA4H 2583/4885
US-20170319721-A1 ALPHA-EMITTING COMPLEXES TK1, KPNA1, HPRT1 MAPK14 4881/4885GRM2 4370/4885LTA4H 3432/4885

“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.