SCHEMBL12844121

SCHEMBL12844121

O=[N+]([O-])c1cc(O)c(O)cc1-c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
EIF4E P06730 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
AR P10275 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
KIF11 P52732 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CASP6 P55212 1/20 0.39
PTGES O14684 2/20 0.39
SLC13A5 Q86YT5 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PGR P06401 1/20 0.39
KCNMA1 Q12791 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
SCHEMBL29878607 0.86 MAPT (0.50) MAPTEIF4EALDH1A1TDP1AR
SCHEMBL12844122 0.84 EIF4E (0.41) MAPTEIF4EALDH1A1KIF11POLB
SCHEMBL12844120 0.82 EIF4E (0.44) MAPTEIF4EALDH1A1TDP1AR
SCHEMBL12777196 0.79 MAPT (0.49) MAPTALDH1A1TDP1CRHBPCRHR2
SCHEMBL27915252 0.79 AKR1C3 (0.52) ALDH1A1TDP1ARFFAR4AKR1C3
SCHEMBL27542162 0.78 EIF4E (0.42) EIF4EALDH1A1TDP1ARKIF11
SCHEMBL29655194 0.77 BACE1 (0.47) MAPTEIF4EALDH1A1TDP1AR
SCHEMBL2311283 0.77 MAPT (0.58) MAPTEIF4EALDH1A1TDP1AR
SCHEMBL27463044 0.77 ALDH1A1 (0.54) EIF4EALDH1A1TDP1ARKIF11
SCHEMBL28907766 0.75 CASP6 (0.44) MAPTEIF4EALDH1A1TDP1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053939-A1 NOVEL AROMATIC NITRO COMPOUNDS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-03-03 US disclosed
US-7851501-B2 Aromatic nitrocatechol compounds and their use for modulating processes mediated by cell adhesion molecules REVOTAR BIOPHARMACEUTICALS AG (DE) 2010-12-14 US disclosed
US-7851501-B2 Aromatic nitrocatechol compounds and their use for modulating processes mediated by cell adhesion molecules REVOTAR BIOPHARMACEUTICALS AG (DE) 2010-12-14 US disclosed
US-20090105280-A1 Novel Aromatic Nitro Compounds REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-04-23 US disclosed
US-20090105280-A1 Novel Aromatic Nitro Compounds REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-04-23 US disclosed
WO-2007039114-A1 NOVEL NITROCATECHOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 WO disclosed
EP-1764095-A1 Novel nitrocatechol derivatives having selectin ligand activity Revotar Biopharmaceuticals AG (DE) 2007-03-21 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 (2 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-20090105280-A1 Novel Aromatic Nitro Compounds SELP, SELE, SELL MAPT 2781/4885EIF4E 3484/4885ALDH1A1 215/4885
US-20110053939-A1 NOVEL AROMATIC NITRO COMPOUNDS SELP, SELE, SELL MAPT 2781/4885EIF4E 3484/4885ALDH1A1 215/4885

“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.