SCHEMBL3358045

SCHEMBL3358045

CCOC(=O)C1CNc2ccc(OC)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 3/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7818765 0.90 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL2577554 0.86 HSD17B10 (0.48) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL7817324 0.84 POLB (0.52) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL29853923 0.84 POLB (0.52) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL12850374 0.84 CYP4F2 (0.43) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL24378152 0.84 KMT2A (0.47) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL24378131 0.83 CYP4F2 (0.46) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL8566458 0.81 HPGD (0.61) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL924887 0.81 HPGD (0.61) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL8566461 0.81 HPGD (0.61) ALDH1A1MEN1KMT2ACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759383-B2 Inhibitors of cholesterol ester transfer protein CONCERT PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
EP-0894796-B1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR (FR) 2001-06-06 EP disclosed
US-6057317-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 2000-05-02 US disclosed
EP-0894796-A1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR ET COMPAGNIE (FR) 1999-02-03 EP 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 ALDH1A1 903/4885MEN1 4595/4885KMT2A 3495/4885

“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.