SCHEMBL698449

SCHEMBL698449

Cc1ccc(C(=O)OC(C)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL14570072 1.00 TDP1 (0.53) TDP1MEN1KMT2APDCD1CD274
SCHEMBL11275122 0.86 CA1 (0.50) KMT2APDCD1CD274CA12CA1
SCHEMBL5835673 0.85 CA12 (0.69) TDP1MEN1KMT2APDCD1CD274
SCHEMBL5835670 0.85 CA12 (0.69) TDP1MEN1KMT2APDCD1CD274
SCHEMBL15253524 0.84 TSHR (0.64) KMT2APDCD1CD274CA12CA1
SCHEMBL15253339 0.84 TSHR (0.64) KMT2APDCD1CD274CA12CA1
SCHEMBL582407 0.84 TSHR (0.64) KMT2APDCD1CD274CA12CA1
SCHEMBL697668 0.83 ALDH1A1 (0.54) PDCD1CD274CA12CA1CA2
SCHEMBL14570071 0.83 TDP1 (0.52) TDP1MEN1KMT2APDCD1CD274
SCHEMBL28525420 0.82 TSHR (0.62) KMT2APDCD1CD274CA12CA1

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
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 EP disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 EP disclosed
US-20080281096-A1 Resolution Process For Preparing (+)-2S,3S)-2-(3-Chlorophenyl)-3,3,3-Trimethyl-2-Morpholinol HARRIS MICHAEL ANTHONY 2008-11-13 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-20080281096-A1 Resolution Process For Preparing (+)-2S,3S)-2-(3-Chlorophenyl)-3,3,3-Trimethyl-2-Morpholinol TPMT, MTAP, METTL3 TDP1 2228/4885MEN1 1368/4885KMT2A 1339/4885

“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.