SCHEMBL1072000

SCHEMBL1072000

O=C(O)C12CC3CC(CC(C3)C1F)C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 3/20 0.34
EPHX1 P07099 1/20 0.34
HSD11B1 P28845 2/20 0.33
GAA P10253 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.30
FAAH O00519 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
SCHEMBL23275043 0.80
SCHEMBL7346738 0.80
SCHEMBL59961 0.77 CYP2C9 (0.36) THRBCYP2C9EPHX2EPHX1HSD11B1
SCHEMBL27750790 0.75 THRB (0.35) THRBCYP2C9EPHX2EPHX1HSD11B1
SCHEMBL1088728 0.75 THRB (0.35) THRBCYP2C9EPHX2EPHX1HSD11B1
SCHEMBL26217909 0.75 THRB (0.35) THRBCYP2C9EPHX2EPHX1HSD11B1
SCHEMBL905306 0.75 THRB (0.39) THRBCYP2C9EPHX2EPHX1HSD11B1
SCHEMBL74823 0.75 THRB (0.35) THRBCYP2C9EPHX2EPHX1HSD11B1
SCHEMBL6432701 0.75 THRB (0.35) THRBCYP2C9EPHX2EPHX1HSD11B1
SCHEMBL28215771 0.75 THRB (0.35) THRBCYP2C9EPHX2EPHX1HSD11B1

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-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 US disclosed
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-02-03 US disclosed
WO-2011001258-A1 COMPOSITIONS, METHODS, AND KITS FOR TREATING VIRAL AND BACTERIAL INFECTIONS BY TOCOTRIENOLS, TOCOMONOENOLS, TOCODIENOLS, TOCOPHEROLS, AND THEIR DERIVATES EVITA LIFE SCIENCE PTE. LTD (SG) 2011-01-06 WO disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
EP-0870757-B1 Fluoro-substituted adamantane derivatives PFIZER (US) 2002-06-12 EP disclosed
US-6057364-A USED FOR TREATING NEUROLOGICAL DISORDERS, SUCH AS MEMORY LOSS AND PARKINSON'S DISEASE, AND BACTERIAL AND VIRAL INFECTIONS PFIZER INC (US) 2000-05-02 US disclosed
EP-0870757-A2 Fluoro-substituted adamantane derivatives PFIZER INC. (US) 1998-10-14 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 (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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT THRB 4594/4885CYP2C9 4657/4885EPHX2 1794/4885
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 THRB 4497/4885CYP2C9 1228/4885EPHX2 1373/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 THRB 4497/4885CYP2C9 1228/4885EPHX2 1373/4885

“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.