SCHEMBL258598

SCHEMBL258598

O=C(O)CC(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
TSHR P16473 1/20 0.69
ALDH1A1 P00352 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CTSD P07339 1/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
ESR2 Q92731 1/20 0.41
CYP26A1 O43174 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL27654124 0.85 CYP1A2 (0.55) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL27573300 0.85 CYP1A2 (0.55) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL7805366 0.85 CYP1A2 (0.55) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL19302979 0.84 CYP1A2 (0.57) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL10519958 0.83 CYP1A2 (0.56) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL30331074 0.82 CYP1A2 (0.54) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL11461676 0.82 CYP1A2 (0.54) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL7263695 0.82 CYP1A2 (1.00) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL3259894 0.82 CYP1A2 (0.68) CYP1A2TSHRALDH1A1L3MBTL1MEN1
SCHEMBL185472 0.82 CYP1A2 (0.68) CYP1A2TSHRALDH1A1L3MBTL1MEN1

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
US-8058471-B2 Method for producing optically active hydroxycarboxylic acid derivatives or salts thereof KANEKA CORPORATION (JP) 2011-11-15 US disclosed
US-20100191011-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF KANEKA CORPORATION (JP) 2010-07-29 US disclosed
EP-2053032-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Kaneka Corporation (JP) 2009-04-29 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-20100191011-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF DHPS, HAAO, HCAR2 CYP1A2 826/4885TSHR 4310/4885ALDH1A1 137/4885

“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.