SCHEMBL1362338

SCHEMBL1362338

CCC(CC)(c1cccc(Br)c1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PGK1 P00558 4/20 0.41
PGK2 P07205 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
RIPK1 Q13546 1/20 0.38
GAA P10253 1/20 0.38
MMP2 P08253 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TP53BP1 Q12888 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP1 P09874 1/20 0.37
PTPN5 P54829 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3390400 0.88 PGK1 (0.52) PGK1PGK2PTPN5PTPN1
SCHEMBL9445936 0.81 PGK1 (0.45) PGK1PGK2RIPK1CYP1A2CYP2C19
SCHEMBL1338013 0.80 PGK1 (0.44) PGK1PGK2RIPK1PTPN5
SCHEMBL27887459 0.80 PGK1 (0.41) PGK1PGK2TP53BP1PTPN5PTPN1
SCHEMBL2031911 0.80 TSHR (0.43) PGK1PGK2PTPN5ALDH1A1TP53
SCHEMBL29024551 0.80 PGK1 (0.53) PGK1PGK2CA1MMP2PTPN5
SCHEMBL1352934 0.79 HDAC3 (0.39) PGK1PGK2MMP2CA14ALDH1A1
SCHEMBL1556937 0.78 PTPN1 (0.52) MEN1KMT2ASMN1; SMN2PGK1PGK2
Hydrogen Peroxide SCHEMBL8609891 0.78 PTPN1 (0.52) MEN1KMT2ASMN1; SMN2PGK1PGK2
SCHEMBL4538998 0.78 CES2 (0.41) PGK1PGK2L3MBTL1GAAPARP1

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
JP-5032682-A None JP disclosed
CN-104341265-A Novel 1,2-benzophenanthrene derivative as well as preparation method and application thereof NANJING YOUSIBEITE PHOTOELECTRIC MATERIAL CO LTD 2015-02-11 CN disclosed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
JP-H0532682-A USE OF BENZYLPHOSPHONIC ACID DERIVATIVE FOR TREATMENT OF DISEASE CAUSED BY VIRUS HOECHST AG 1993-02-09 JP 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A MEN1 4113/4885KMT2A 2211/4885SMN1; SMN2 4433/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B MEN1 3034/4885KMT2A 1064/4885SMN1; SMN2 2601/4885

“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.