SCHEMBL20710786

SCHEMBL20710786

CCOP(=O)(Cc1ccccc1)Oc1c(C)cccc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
NPY5R Q15761 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN4A P35499 1/20 0.37
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1I2 O75469 1/20 0.36
MEN1 O00255 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
SCHEMBL20710781 0.85 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ANPY5RNPSR1KCNH2
SCHEMBL366215 0.82 NPY5R (0.50) NPY5RNPSR1KCNH2POLBACHE
SCHEMBL20710784 0.81 NPY5R (0.37) NPY5RNPSR1KCNH2
SCHEMBL20710879 0.81 NPSR1 (0.38) KMT2ANPY5RNPSR1KCNH2POLB
SCHEMBL22322010 0.81 NPY5R (0.37) NPY5RNPSR1KCNH2POLBMAPT
SCHEMBL17923878 0.81 KLK8 (0.50) KMT2ANPY5RNPSR1KCNH2MEN1
SCHEMBL914767 0.80 NPY5R (0.49) NPY5RNPSR1KCNH2POLBACHE
Hydrogen Peroxide SCHEMBL8609887 0.80 NPY5R (0.49) NPY5RNPSR1KCNH2POLBACHE
SCHEMBL916329 0.80 NPY5R (0.49) NPY5RNPSR1KCNH2POLBACHE
Hydrochloric Acid SCHEMBL8896648 0.80 KLK8 (0.49) KMT2ANPY5RNPSR1KCNH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-23 US disclosed
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-23 US disclosed
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-08-13 US disclosed
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-08-13 US disclosed
WO-2019028391-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2019-02-07 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-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES SLC35B2, PPIP5K2, PPA1 SMN1; SMN2 4720/4885KMT2A 2125/4885NPY5R 4183/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 SMN1; SMN2 4720/4885KMT2A 2125/4885NPY5R 4183/4885

“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.