SCHEMBL3856804

SCHEMBL3856804

CCc1cc(OC)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BACE1 P56817 1/20 0.50
SLC2A1 P11166 1/20 0.49
EPHX2 P34913 1/20 0.49
RECQL P46063 1/20 0.49
STS P08842 2/20 0.47
GPR119 Q8TDV5 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
ABCB1 P08183 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2462201 0.90 MAPT (0.50) ALDH1A1MAPTLMNASMN1; SMN2BACE1
SCHEMBL3846595 0.85 ESR2 (0.51) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL8363976 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2BACE1
SCHEMBL24992422 0.84 NR1H2 (0.52) ALDH1A1MAPTLMNASMN1; SMN2BACE1
SCHEMBL4439288 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2BACE1
SCHEMBL2462125 0.81 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2BACE1
SCHEMBL23073659 0.81 GPR119 (0.53) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL7981893 0.81 GAA (0.56) ALDH1A1MAPTLMNASMN1; SMN2BACE1
SCHEMBL1062063 0.81 GALR2 (0.51) ALDH1A1MAPTLMNASMN1; SMN2BACE1
SCHEMBL23073676 0.80 LMNA (0.49) ALDH1A1MAPTLMNASMN1; SMN2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
EP-1718307-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-04-29 EP disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP disclosed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 WO 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-20070203100-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, NFATC1 ALDH1A1 3602/4885MAPT 3586/4885LMNA 4872/4885

“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.