SCHEMBL2883076

SCHEMBL2883076

CC(C)(C)OC(=O)N1C=COc2ccc(CO)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
GPR119 Q8TDV5 6/20 0.34
NR1H2 P55055 6/20 0.34
NR1H3 Q13133 2/20 0.34
RXRA P19793 1/20 0.34
BCHE P06276 1/20 0.32
ABCB1 P08183 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2884697 0.81 HDAC1 (0.33) NR1H2BCHEHDAC1ALDH1A1LMNA
SCHEMBL6255939 0.79 BCHE (0.46) GPR119BCHEABCB1HDAC1HDAC6
SCHEMBL30232840 0.74 GPR119 (0.36) GPR119BCHE
SCHEMBL2937742 0.72 EGFR (0.45) GPR119HDAC1HDAC6ALDH1A1LMNA
SCHEMBL12975573 0.72 GSK3B (0.46) GPR119
SCHEMBL2880302 0.72 GSK3B (0.46) GPR119
SCHEMBL8220970 0.68 SMN1; SMN2 (0.47) GPR119MEN1KMT2AALDH1A1LMNA
SCHEMBL28994417 0.67 POLB (0.40) GPR119BCHEMAPT
SCHEMBL3208941 0.67 DRD2 (0.52) GPR119NR1H2HDAC1HDAC6
SCHEMBL29888719 0.67 DRD2 (0.52) GPR119NR1H2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 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 (3 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX CYP4F2 929/4885CYP4A11 823/4885GPR119 710/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 CYP4F2 4136/4885CYP4A11 2412/4885GPR119 791/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B CYP4F2 978/4885CYP4A11 884/4885GPR119 767/4885

“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.