SCHEMBL600068

SCHEMBL600068

O[C@H]1C[C@H](CCOCc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.49
AGTR2 P50052 1/20 0.48
TSHR P16473 1/20 0.47
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
EPHX2 P34913 1/20 0.40
LTA4H P09960 1/20 0.40
NAAA Q02083 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL599769 1.00 PDE4D (0.49) PDE4DAGTR2TSHRGBA1UGCG
SCHEMBL599768 1.00 PDE4D (0.49) PDE4DAGTR2TSHRGBA1UGCG
SCHEMBL1865643 0.85 TSHR (0.45) PDE4DAGTR2TSHRGBA1UGCG
SCHEMBL598878 0.82 TSHR (0.50) PDE4DAGTR2TSHRNAAALMNA
SCHEMBL477464 0.82 TSHR (0.50) PDE4DAGTR2TSHRNAAALMNA
SCHEMBL477463 0.82 TSHR (0.50) PDE4DAGTR2TSHRNAAALMNA
SCHEMBL17891866 0.82 AGTR2 (0.54) PDE4DAGTR2TSHREPHX2HTT
SCHEMBL17891864 0.82 AGTR2 (0.54) PDE4DAGTR2TSHREPHX2HTT
SCHEMBL12982403 0.82 TSHR (0.54) PDE4DAGTR2TSHRLTA4HNAAA
SCHEMBL21245452 0.79 AGTR2 (0.45) PDE4DAGTR2TSHREPHX2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 US disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 US disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 US disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 US disclosed
CN-101115725-A 2' and 3' - substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation UNIV EMORY (US) 2008-01-30 CN disclosed
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY 2006-10-05 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 (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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA PDE4D 2012/4885AGTR2 3862/4885TSHR 3945/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD PDE4D 1615/4885AGTR2 3787/4885TSHR 3775/4885

“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.