SCHEMBL3846595

SCHEMBL3846595

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
PBRM1 Q86U86 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GPR119 Q8TDV5 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
KDM1A O60341 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL24992422 0.86 NR1H2 (0.52) SMARCA2SMARCA4PBRM1LMNAMAPT
SCHEMBL3856804 0.85 ALDH1A1 (0.52) LMNAMAPTALDH1A1GPR119SMN1; SMN2
SCHEMBL29566479 0.84 ESR2 (0.56) ESR2SMARCA2SMARCA4PBRM1LMNA
SCHEMBL24309718 0.84 ESR2 (0.53) ESR2SMARCA2SMARCA4PBRM1LMNA
SCHEMBL5543104 0.84 ESR2 (0.56) ESR2SMARCA2SMARCA4PBRM1LMNA
SCHEMBL23073659 0.84 GPR119 (0.53) SMARCA2SMARCA4PBRM1LMNAMAPT
SCHEMBL7981893 0.83 GAA (0.56) SMARCA2SMARCA4PBRM1LMNAMAPT
SCHEMBL4951947 0.83 ESR2 (0.52) ESR2SMARCA2SMARCA4PBRM1LMNA
SCHEMBL30221986 0.83 ESR2 (0.52) ESR2SMARCA2SMARCA4PBRM1LMNA
SCHEMBL17658993 0.82 ESR2 (0.54) ESR2SMARCA2SMARCA4PBRM1LMNA

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 ESR2 659/4885SMARCA2 4330/4885SMARCA4 4518/4885

“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.