SCHEMBL600312

SCHEMBL600312

CC(OCc1ccccc1)C1CC(=O)C1(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.37
CYP2C19 P33261 5/20 0.37
CYP1A2 P05177 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
CYP2D6 P10635 2/20 0.37
CTSD P07339 1/20 0.36
CYP3A4 P08684 5/20 0.36
TSHR P16473 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 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
SCHEMBL31059733 1.00 CYP2C9 (0.37) CYP2C9CYP2C19CYP1A2MEN1KMT2A
SCHEMBL31059495 0.74 CYP2C9 (0.46) CYP2C9CYP2C19CYP1A2MEN1KMT2A
SCHEMBL600090 0.74 CYP2C9 (0.46) CYP2C9CYP2C19CYP1A2MEN1KMT2A
SCHEMBL14409099 0.71 PSEN1 (0.41) CYP2C9CYP2C19CYP3A4TSHRALDH1A1
SCHEMBL599504 0.70 SMYD2 (0.35) CYP3A4SMN1; SMN2
SCHEMBL420372 0.70 CYP2C9 (0.45) CYP2C9CYP2C19CYP1A2MEN1KMT2A
SCHEMBL583589 0.69 LMNA (0.44) TSHRLMNACCKBR
SCHEMBL1571975 0.68 TSHR (0.52) CYP2C9CYP2C19CYP1A2MEN1KMT2A
SCHEMBL8588353 0.67 SLC6A2 (0.41) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL6133472 0.67 SLC6A2 (0.41) TSHRSLC6A2SLC6A4SLC6A3MAPT

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 CYP2C9 1280/4885CYP2C19 1414/4885CYP1A2 671/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD CYP2C9 1248/4885CYP2C19 1358/4885CYP1A2 643/4885

“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.