SCHEMBL3315974

SCHEMBL3315974

COc1cc(CC(CO)CO)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TTR P02766 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.46
MMP1 P03956 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.45
LDHA P00338 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR3C1 P04150 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL29750606 0.83 TTR (0.64) ALDH1A1TTRSMN1; SMN2CYP3A4TDP1
SCHEMBL704754 0.83 TTR (0.64) ALDH1A1TTRSMN1; SMN2CYP3A4TDP1
SCHEMBL30875697 0.81 SMN1; SMN2 (0.52) ALDH1A1TTRSMN1; SMN2CYP3A4TDP1
SCHEMBL8867665 0.81 SMN1; SMN2 (0.52) ALDH1A1TTRSMN1; SMN2CYP3A4TDP1
SCHEMBL3313541 0.81 ALDH1A1 (0.60) ALDH1A1TTRCYP3A4TDP1LMNA
SCHEMBL1048336 0.80 ALDH1A1 (0.53) ALDH1A1TTRSMN1; SMN2TDP1LMNA
SCHEMBL1531355 0.79 ALDH1A1 (0.53) ALDH1A1TTRSMN1; SMN2CYP3A4TDP1
SCHEMBL18138414 0.79 ALDH1A1 (0.53) ALDH1A1TTRSMN1; SMN2CYP3A4TDP1
SCHEMBL16428849 0.78 ALDH1A1 (0.51) ALDH1A1TTRCYP3A4MMP1TDP1
SCHEMBL2031263 0.78 ALDH1A1 (0.46) ALDH1A1TTRSMN1; SMN2CYP3A4TDP1

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885TTR 2919/4885SMN1; SMN2 1509/4885

“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.