SCHEMBL443890

SCHEMBL443890

CC(C)COC(=O)CNCCN(CCO)CCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.45
HTT P42858 1/20 0.44
FOLH1 Q04609 3/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
LMNA P02545 2/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL233779 0.86 MAPT (0.47) TGM2HTTFOLH1SIRT2LMNA
SCHEMBL2817263 0.84 MAPT (0.44) TGM2HTTSIRT2
SCHEMBL16389741 0.82 TGM2 (0.54) TGM2HTTFOLH1SIRT2LMNA
SCHEMBL233928 0.79 CCR6 (0.45) ALDH1A1
SCHEMBL25771996 0.79 HTT (0.56) TGM2HTTFOLH1SIRT2LMNA
Hydrochloric Acid SCHEMBL2815500 0.78 CCR6 (0.44) ALDH1A1
SCHEMBL6840808 0.77 LMNA (0.61) TGM2HTTLMNAKEAP1NFE2L2
SCHEMBL15739517 0.77 LMNA (0.61) TGM2HTTLMNAKEAP1NFE2L2
SCHEMBL11824510 0.76 LMNA (0.52) HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL6843985 0.75 TGM2 (0.55) TGM2HTTSIRT2LMNAKEAP1

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-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 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-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 TGM2 209/4885HTT 2619/4885FOLH1 190/4885

“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.