SCHEMBL3022393

SCHEMBL3022393

O=Cc1ccc(CCCO[N+](=O)OCCCc2ccc(C=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.35
CYP2A6 P11509 2/20 0.34
RAB9A P51151 1/20 0.34
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
IDO1 P14902 1/20 0.32
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32
FFAR1 O14842 1/20 0.32
CDK1 P06493 1/20 0.32

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
SCHEMBL3022392 0.86 MAPT (0.41) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL17361319 0.79 ALDH1A1 (0.56) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3021172 0.79 ALDH1A1 (0.60) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL15452989 0.78 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1444352 0.78 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL465539 0.78 HPGD (0.69) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL16406009 0.75 ALDH1A1 (0.51) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL13737590 0.75 CALM1 (0.53) SMN1; SMN2
SCHEMBL2233399 0.74 HPGD (0.58) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL13236443 0.74 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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 245/4885LMNA 3769/4885MAPT 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.