SCHEMBL12342000

SCHEMBL12342000

O=CN(O)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
TSHR P16473 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
AKT1 P31749 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
HSD11B1 P28845 1/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 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
SCHEMBL7315142 0.80 AKT1 (0.50) ALDH1A1TDP1MAPK1RAB9ASMN1; SMN2
SCHEMBL27463521 0.79 TDP1 (0.50) ALDH1A1TDP1MAPK1RAB9ASMN1; SMN2
SCHEMBL11583231 0.79 TDP1 (0.56) ALDH1A1TDP1MAPK1RAB9ASMN1; SMN2
SCHEMBL1151269 0.76 TDP1 (0.46) ALDH1A1TDP1MAPK1RAB9ASMN1; SMN2
SCHEMBL6317037 0.76 HSD11B1 (0.48) ALDH1A1TDP1MAPK1RAB9ACES2
SCHEMBL3743764 0.75 CES1 (0.52) ALDH1A1TDP1MAPK1RAB9ASMN1; SMN2
SCHEMBL6561305 0.75 CES1 (0.52) ALDH1A1TDP1MAPK1RAB9ASMN1; SMN2
SCHEMBL14855512 0.74 TDP1 (0.47) ALDH1A1TDP1MAPK1RAB9ASMN1; SMN2
SCHEMBL14045487 0.72 AKT1 (0.47) ALDH1A1TDP1MAPK1RAB9ASMN1; SMN2
SCHEMBL1574223 0.72 CES1 (0.55) ALDH1A1TDP1MAPK1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268531-B2 Photoacid generator compounds and compositions CORNELL RESEARCH FOUNDATION, INC. (US) 2012-09-18 US disclosed
US-20110008732-A1 PHOTOACID GENERATOR COMPOUNDS AND COMPOSITIONS CORNELL RESEARCH FOUNDATION, INC. (US) 2011-01-13 US disclosed
US-20090136868-A1 PHOTOACID GENERATOR COMPOUNDS AND COMPOSITIONS CORNELL RESEARCH FOUNDATION, INC. 2009-05-28 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 (2 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-20090136868-A1 PHOTOACID GENERATOR COMPOUNDS AND COMPOSITIONS ASIC1, PPA1, PPOX ALDH1A1 2401/4885TDP1 3866/4885MAPK1 2467/4885
US-20110008732-A1 PHOTOACID GENERATOR COMPOUNDS AND COMPOSITIONS ASIC1, PPA1, PPOX ALDH1A1 2401/4885TDP1 3866/4885MAPK1 2467/4885

“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.