SCHEMBL22321995

SCHEMBL22321995

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
NLRP3 Q96P20 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL17537113 0.87 ELANE (0.40) ELANECA1CA2BCHEACHE
SCHEMBL11243890 0.85 GABRA1 (0.43) CA1CA2TSHRKMT2AGABRA1
SCHEMBL8134097 0.83 ELANE (0.40) ELANEPOLBSCN5ASCN9ASCN10A
SCHEMBL3290567 0.81 ELANE (0.43) ELANECA1CA2BCHEACHE
SCHEMBL29103077 0.79 GABRA1 (0.38) CA1CA2TSHRKMT2AGABRA1
SCHEMBL22322010 0.77 NPY5R (0.37) ELANEPOLB
SCHEMBL10940025 0.77 MEN1 (0.49) CA1CA2BCHEACHETSHR
SCHEMBL13152411 0.76 GABRA1 (0.41) CA1CA2TSHRKMT2ASCN5A
SCHEMBL3821872 0.75 TSHR (0.41) ELANECA1CA2TSHRSCN5A
SCHEMBL2154615 0.74 GABRA1 (0.40) CA1CA2TSHRKMT2AGABRA1

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 2 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-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

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 ELANE 4165/4885CA1 2467/4885CA2 1238/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 ELANE 4165/4885CA1 2467/4885CA2 1238/4885

“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.