SCHEMBL600313

SCHEMBL600313

O=C1CC(CCOCc2ccccc2)C1(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.37
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
PDE4D Q08499 1/20 0.36
AGTR2 P50052 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.36
LTA4H P09960 1/20 0.35
CYP2C19 P33261 1/20 0.35
CDC7 O00311 1/20 0.35

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
SCHEMBL583589 0.85 LMNA (0.44) TSHRTAAR1LMNACDC7
SCHEMBL16093667 0.78 ALDH1A1 (0.45) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6876316 0.76 HDAC8 (0.40) TSHRALDH1A1KMT2A
SCHEMBL600091 0.73 TSHR (0.47) TSHRALDH1A1TAAR1LMNAPDE4D
SCHEMBL14303008 0.73 TSHR (0.47) TSHREPHX2ALDH1A1TAAR1GBA1
SCHEMBL6656392 0.72 EPHX2 (0.41) TSHREPHX2ALDH1A1TAAR1GBA1
SCHEMBL14409099 0.72 PSEN1 (0.41) TSHRALDH1A1CYP2C19
SCHEMBL9660776 0.71 TSHR (0.44) TSHRALDH1A1LMNAPDE4DAGTR2
SCHEMBL1459289 0.71 LMNA (0.49) TSHRALDH1A1TAAR1LMNAPDE4D
SCHEMBL1459291 0.71 LMNA (0.49) TSHRALDH1A1TAAR1LMNAPDE4D

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 7 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
EP-1828145-A4 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION UNIV EMORY (US) 2009-08-19 EP 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
EP-1828145-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2007-09-05 EP 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
WO-2006063281-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2006-06-15 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 (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 TSHR 3945/4885EPHX2 3058/4885ALDH1A1 2844/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD TSHR 3775/4885EPHX2 3058/4885ALDH1A1 2674/4885

“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.