SCHEMBL6572279

SCHEMBL6572279

CCCC(=O)Oc1ccc(C(=O)c2ccccc2)c([N+](=O)[O-])c1OC(=O)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 6/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PAX8 Q06710 1/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
ABCB1 P08183 2/20 0.37

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
SCHEMBL7429291 0.84 BCL9 (0.41) BCL9CTNNB1KMT2AKDM4EMEN1
SCHEMBL7429793 0.83 ABCB1 (0.42) BCL9CTNNB1KMT2AMEN1MAPT
SCHEMBL7431099 0.81 BCL9 (0.39) BCL9CTNNB1KMT2AKDM4EMEN1
SCHEMBL7431459 0.81 HPGD (0.39) KMT2AKDM4EMEN1MAPTMAPK1
SCHEMBL7429307 0.80 BCL9 (0.41) BCL9CTNNB1KMT2AKDM4EMEN1
SCHEMBL27762116 0.77 KMT2A (0.52) KMT2AKDM4EMEN1RECQLMAPT
SCHEMBL27448977 0.76 MAPT (0.55) KMT2AKDM4EMEN1RECQLMAPT
SCHEMBL28942485 0.76 MAPT (0.62) KMT2AKDM4EMEN1RECQLMAPT
SCHEMBL28014140 0.73 PTGDR2 (0.52) KMT2AKDM4EMEN1MAPTMAPK1
SCHEMBL28910346 0.72 PTPN11 (0.42) KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020037931-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them PORTELA & C.A., S.A. (PT) 2002-03-28 US claimed
EP-1167341-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them Portela & Ca., S.A. (PT) 2002-01-02 EP claimed
WO-2001098250-A1 SUBSTITUTED NITRATED CATECHOLS, THEIR USE IN THE TREATMENT OF SOME CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PORTELA & CA SA (PT) 2001-12-27 WO claimed
US-20040192961-A1 Method for the nitration of phenolic compounds PORTELA, C.A., S.A. (PT) 2004-09-30 US disclosed
EP-1409446-A1 METHOD FOR THE NITRATION OF PHENOLIC COMPOUNDS Portela & CA SA (PT) 2004-04-21 EP disclosed
WO-2003011810-A1 METHOD FOR THE NITRATION OF PHENOLIC COMPOUNDS PORTELA & CA SA (PT) 2003-02-13 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 (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-20020037931-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them SLC6A2, COMT, SLC6A3 BCL9 4557/4885CTNNB1 3047/4885KMT2A 2898/4885
US-20040192961-A1 Method for the nitration of phenolic compounds NOS1, NOS2, NOS3 BCL9 2879/4885CTNNB1 4006/4885KMT2A 2933/4885

“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.