SCHEMBL756576

SCHEMBL756576

CC(C)(C)CCOCCN(C(C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.36
ESR1 P03372 1/20 0.36
RORC P51449 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
BMP1 P13497 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL754506 0.86 MAPK1 (0.36) TDP1MAPK1ALDH1A1LMNAHTT
SCHEMBL756945 0.76 LMNA (0.38) MAPK1ALDH1A1L3MBTL1LMNA
SCHEMBL21169198 0.74 LMNA (0.49) TDP1MAPK1ALDH1A1ESR1L3MBTL1
SCHEMBL4780960 0.72 MAPK1 (0.43) TDP1MAPK1ALDH1A1RORCAPOBEC3G
SCHEMBL10312363 0.69 MAPK1 (0.50) TDP1MAPK1ESR1APOBEC3GLMNA
SCHEMBL10312362 0.68 TDP1 (0.47) TDP1MAPK1ALDH1A1ESR1APOBEC3G
SCHEMBL4024323 0.68 SIGMAR1 (0.39) MAPK1ALDH1A1RORCNR1I2LMNA
SCHEMBL23536176 0.66 LMNA (0.50) TDP1MAPK1ALDH1A1RORCL3MBTL1
SCHEMBL10312373 0.66 ESR1 (0.57) MAPK1ESR1RORCL3MBTL1NR1I2
SCHEMBL21565813 0.66 ALDH1A1 (0.53) TDP1MAPK1ALDH1A1APOBEC3GL3MBTL1

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-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 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-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds PIGO, MANBA, OAT TDP1 869/4885MAPK1 3922/4885ALDH1A1 174/4885

“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.