SCHEMBL4077899

SCHEMBL4077899

COc1ccc([C](c2ccc(Cl)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.70
MAOB P27338 2/20 0.54
PTGS2 P35354 2/20 0.54
MAOA P21397 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 3/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
ESR1 P03372 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL41021 0.88 CA1 (0.65) HPGDCES2CES1MAPTSMN1; SMN2
SCHEMBL2226770 0.85
SCHEMBL154527 0.85
SCHEMBL4444134 0.83 CA1 (0.65) HPGDMAOBPTGS2MAOARAB9A
Chloromethane SCHEMBL9703019 0.83 CA1 (0.65) HPGDMAOBPTGS2MAOARAB9A
SCHEMBL29069477 0.83 CA1 (0.65) HPGDMAOBPTGS2MAOARAB9A
Iodide SCHEMBL5695908 0.83 CA1 (0.65) HPGDMAOBPTGS2MAOARAB9A
Water SCHEMBL9443323 0.83 CA1 (0.65) HPGDMAOBPTGS2MAOARAB9A
Hydrochloric Acid SCHEMBL11293911 0.83 CA1 (0.65) HPGDMAOBPTGS2MAOARAB9A
SCHEMBL28525728 0.83 CA1 (0.65) HPGDMAOBPTGS2MAOARAB9A

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-9540405-B2 Diaminophenothiazinium derivatives for labelling biomolecules, method and substrate for labelling oligonucleotides, and oligonucleotides obtained UNIVERSITE CLAUDE BERNARD LYON I (FR) 2017-01-10 US disclosed
US-20150011712-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED UNIVERSITE CLAUDE BERNARD LYON I (FR) 2015-01-08 US disclosed
CN-103298939-A Double stranded oligonucleotide compounds comprising positional modifications QUARK PHARMACEUTICALS INC 2013-09-11 CN disclosed
US-7507859-B2 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC (US) 2009-03-24 US disclosed
EP-1644479-A4 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY GRINSTAFF MARK W (US) 2008-04-23 EP disclosed
US-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC 2006-10-26 US disclosed
EP-1644479-A2 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY Grinstaff, Mark, W. (US) 2006-04-12 EP disclosed
WO-2005007810-A2 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY GRINSTAFF MARK W (US) 2005-01-27 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-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery ANXA6, STING1, POLRMT HPGD 3336/4885MAOB 4626/4885PTGS2 1640/4885
US-20150011712-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED POLRMT, RNASEH1, PDXK HPGD 3497/4885MAOB 199/4885PTGS2 4695/4885

“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.