SCHEMBL8776461

SCHEMBL8776461

COC(=O)C1COC(C)(C)OC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
BRD4 O60885 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL22645249 0.79 POLB (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12499893 0.78
SCHEMBL1867430 0.78 LMNA (0.42) ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL12191578 0.77
SCHEMBL15804441 0.77 APLNR (0.33) TP53SMN1; SMN2
SCHEMBL17540952 0.76 ALDH1A1 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1487144 0.75 L3MBTL1 (0.35) ALDH1A1PPM1BPTPN1PPP1CCKMT2A
SCHEMBL393713 0.75 L3MBTL1 (0.35) ALDH1A1PPM1BPTPN1PPP1CCKMT2A
SCHEMBL877770 0.75 L3MBTL1 (0.35) ALDH1A1PPM1BPTPN1PPP1CCKMT2A
SCHEMBL5532753 0.75 APLNR (0.48) TP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
EP-3535255-A1 PYRIDAZINE DERIVATIVES AS RORC MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 EP disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 US disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 US disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 WO disclosed
EP-0643055-B1 Proces for the preparation of 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON SPA (IT) 1997-10-08 EP disclosed
US-5580993-A Process for the preparation of iopamidol and 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON GROUP S.P.A. (IT) 1996-12-03 US disclosed
EP-0643055-A1 Proces for the preparation of 5-amino-2,2-dialkyl-1,3-dioxanes ZAMBON GROUP S.p.A. (IT) 1995-03-15 EP 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 (2 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-11008312-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA CHRNB2 718/4885CHRNA4 510/4885CHRNB4 831/4885
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA CHRNB2 718/4885CHRNA4 510/4885CHRNB4 831/4885

“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.