SCHEMBL6814396

SCHEMBL6814396

O=C(O)CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HTR2A P28223 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
SRD5A2 P31213 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3629791 0.84 SMN1; SMN2 (0.56) HTR2AMEN1KMT2ANPC1MAPT
SCHEMBL6810577 0.84 FNTA (0.48) FNTAFNTBCES2CES1HTR2A
Hydrochloric Acid SCHEMBL10569382 0.83 SMN1; SMN2 (0.55) HTR2AMEN1KMT2ANPC1MAPT
SCHEMBL655939 0.82 PPARG (0.57) HTR2AMEN1KMT2ANPC1MAPT
SCHEMBL9818961 0.81 MEN1 (0.51) FNTAFNTBHTR2AMEN1KMT2A
SCHEMBL1139037 0.80 MGLL (0.51) HTR2AMEN1KMT2ANPC1MAPT
SCHEMBL5512522 0.78 PPARG (0.57)
SCHEMBL28707283 0.78 PPARG (0.62)
SCHEMBL4832122 0.77 CTRC (0.56) HTR2AMAPTBCL9CTNNB1
SCHEMBL93218 0.77 CTRC (0.56) HTR2AMAPTBCL9CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives MILLENNIUM PHARMACEUTICALS, INC. 2004-03-04 US disclosed
WO-2001092249-A2 CHIRAL AND ACHIRAL SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND THEIR DERIVATIVES COR THERAPEUTICS, INC. (US) 2001-12-06 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 (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-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives ACAT2, ACACA, COASY FNTA 105/4885FNTB 1836/4885CES2 370/4885

“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.