SCHEMBL2393556

SCHEMBL2393556

Nc1ccc(F)cc1OC1CC(O)CC(O)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
KEAP1 Q14145 1/20 0.35
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
GPR6 P46095 1/20 0.32
IDO1 P14902 2/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL2393553 1.00 ALDH1A1 (0.37) ALDH1A1KEAP1GRIN1GRIN2BGPR6
SCHEMBL12256793 1.00 ALDH1A1 (0.37) ALDH1A1KEAP1GRIN1GRIN2BGPR6
SCHEMBL12256799 1.00 ALDH1A1 (0.37) ALDH1A1KEAP1GRIN1GRIN2BGPR6
SCHEMBL2379854 0.89 ALDH1A1 (0.36) ALDH1A1KEAP1GPR6SLC6A4HTR2A
SCHEMBL12256854 0.89 ALDH1A1 (0.38) ALDH1A1KEAP1GRIN1GRIN2BIDO1
SCHEMBL12289804 0.89 ALDH1A1 (0.38) ALDH1A1KEAP1GRIN1GRIN2BIDO1
SCHEMBL2369465 0.86 FURIN (0.38) ALDH1A1KEAP1SLC5A1SLC5A2HTR2A
SCHEMBL2369457 0.86 FURIN (0.38) ALDH1A1KEAP1SLC5A1SLC5A2HTR2A
SCHEMBL12290321 0.86 FURIN (0.38) ALDH1A1KEAP1SLC5A1SLC5A2HTR2A
SCHEMBL2369462 0.86 FURIN (0.38) ALDH1A1KEAP1SLC5A1SLC5A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 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 (1 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-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 ALDH1A1 4123/4885KEAP1 1506/4885GRIN1 2489/4885

“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.