SCHEMBL2802176

SCHEMBL2802176

CC(COCC(C)OC(=O)C(=O)c1ccccc1)OC(=O)C(=O)c1ccccc1.O=C(OCCOCCO)C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 2/20 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
SCHEMBL13875404 0.85 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL476901 0.85 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2LMNAXBP1
SCHEMBL194429 0.85 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL30478610 0.79 CES2 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL13982035 0.79 CES2 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL3312136 0.79 CES2 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL665971 0.79 CES2 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL29026525 0.78 GLS (0.38) ALDH1A1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL29194859 0.78 GLS (0.38) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL12154914 0.76 CES2 (0.50) ALDH1A1MAPTLMNAGAAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100167178-A1 Oxime sulfonates and the use thereof as latent acids YAMATO HITOSHI 2010-07-01 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-20100167178-A1 Oxime sulfonates and the use thereof as latent acids HAO2, SULT2A1, ARSA ALDH1A1 62/4885MAPT 4494/4885SMN1; SMN2 3684/4885

“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.