SCHEMBL12861015

SCHEMBL12861015

CC(=O)c1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.58
ALDH1A1 P00352 1/20 0.53
MAOA P21397 3/20 0.52
TMEM97 Q5BJF2 4/20 0.50
MRGPRX4 Q96LA9 1/20 0.48

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
SCHEMBL220610 0.86 TMEM97 (0.57) TMEM97MRGPRX4
SCHEMBL13685883 0.84 TMEM97 (0.53) MAOBALDH1A1TMEM97MRGPRX4
SCHEMBL17369723 0.84 TMEM97 (0.47) MAOBMAOATMEM97MRGPRX4
SCHEMBL13546027 0.81 TMEM97 (0.46) TMEM97
SCHEMBL12861014 0.80 MAOB (0.59) MAOBALDH1A1MAOATMEM97
SCHEMBL6665880 0.80 MAOB (0.58) MAOBALDH1A1MAOAMRGPRX4
SCHEMBL13546034 0.79 TMEM97 (0.44) MAOBMAOATMEM97MRGPRX4
SCHEMBL13525145 0.79 TMEM97 (0.44) MAOBALDH1A1MAOATMEM97MRGPRX4
SCHEMBL4585976 0.79 TMEM97 (0.46) MAOBALDH1A1MAOATMEM97
SCHEMBL2803707 0.79 TMEM97 (0.55) ALDH1A1TMEM97

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-8486974-B2 Efficient aspirin prodrugs THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2013-07-16 US disclosed
US-20110046182-A1 EFFICIENT ASPIRIN PRODRUGS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2011-02-24 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-20110046182-A1 EFFICIENT ASPIRIN PRODRUGS COX15, PTGS1, CYP3A43 MAOB 1084/4885ALDH1A1 140/4885MAOA 1954/4885

“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.