SCHEMBL3021172

SCHEMBL3021172

O=Cc1ccc(OCCCO[N+](=O)OCCCOc2ccc(C=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 3/20 0.60
HPGD P15428 2/20 0.60
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA9 Q16790 3/20 0.44
CYP2A6 P11509 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 1/20 0.41
PTPN1 P18031 1/20 0.40
ALDH1A3 P47895 1/20 0.39
MEN1 O00255 1/20 0.39
STS P08842 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL17361319 0.96 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8204708 0.87 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL5090074 0.87 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL3021167 0.86 CA12 (0.60) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL15941551 0.83 CA12 (0.60) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8551794 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8373486 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL3113016 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8374769 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8549614 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHPGD

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-20100210694-A1 NEW NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-08-19 US disclosed
US-20100210694-A1 NEW NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-08-19 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-20100210694-A1 NEW NO-DONOR ASPIRIN DERIVATIVES PTGIS, NOS2, NOS3 ALDH1A1 245/4885SMN1; SMN2 4131/4885MAPT 4568/4885

“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.