SCHEMBL3021167

SCHEMBL3021167

O=Cc1ccc(OCCCO[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA4 P22748 3/20 0.60
CA9 Q16790 3/20 0.60
ALDH1A1 P00352 7/20 0.57
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 4/20 0.57
HPGD P15428 3/20 0.57
KMT2A Q03164 2/20 0.40
CYP2A6 P11509 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS2 P35354 1/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL15941551 0.97 CA12 (0.60) CA12CA1CA2CA4CA9
SCHEMBL7364250 0.92 ALDH1A1 (0.50) CA12CA1CA2CA4CA9
SCHEMBL3021172 0.86 ALDH1A1 (0.60) CA12CA1CA2CA4CA9
SCHEMBL8204708 0.84 ALDH1A1 (0.75) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL5090074 0.84 ALDH1A1 (0.75) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL17361319 0.83 ALDH1A1 (0.56) CA12CA1CA2CA4CA9
SCHEMBL3022392 0.80 MAPT (0.41) CA12CA1CA2CA4CA9
SCHEMBL8551794 0.80 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL15941442 0.78 TLR4 (0.53) CA12CA1CA2CA4CA9
SCHEMBL9118878 0.78 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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 4 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
EP-2200967-A2 NEW NO-DONOR ASPIRIN DERIVATIVES Nicox S.A. (FR) 2010-06-30 EP disclosed
WO-2009049961-A2 NEW NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2009-04-23 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-20100210694-A1 NEW NO-DONOR ASPIRIN DERIVATIVES PTGIS, NOS2, NOS3 CA12 4800/4885CA1 4743/4885CA2 2558/4885

“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.