SCHEMBL20710690

SCHEMBL20710690

CCOP(=O)(Cc1ccccc1)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ACP3 P15309 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MAPK14 Q16539 1/20 0.42
FDFT1 P37268 1/20 0.40
NR4A2 P43354 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL22321990 0.90 PPARG (0.52) PPARGPPARAACP3KDM4EALDH1A1
SCHEMBL20703817 0.86 KLK8 (0.45) PPARGPPARAL3MBTL1MAPK14MEN1
SCHEMBL1832383 0.83 ACP3 (0.60) ACP3NR4A2NPSR1MEN1LMNA
SCHEMBL29427108 0.83 ACP3 (0.60) ACP3NR4A2NPSR1MEN1LMNA
SCHEMBL17923878 0.82 KLK8 (0.50) L3MBTL1NPSR1MEN1KMT2A
SCHEMBL20710779 0.82 LMNA (0.56) L3MBTL1KDM4EALDH1A1NPSR1MEN1
SCHEMBL20710757 0.82 L3MBTL1 (0.49) PPARGPPARAL3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8896648 0.81 KLK8 (0.49) L3MBTL1NPSR1MEN1KMT2A
SCHEMBL22321991 0.79 ACP3 (0.56) PPARGPPARAACP3KDM4EALDH1A1
SCHEMBL8957011 0.78 ACP3 (0.55) ACP3NPSR1MEN1LMNAGAA

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 3 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
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 PPARG 892/4885PPARA 511/4885L3MBTL1 4127/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 PPARG 892/4885PPARA 511/4885L3MBTL1 4127/4885

“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.