SCHEMBL22321990

SCHEMBL22321990

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
ACP3 P15309 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.48
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NR4A2 P43354 2/20 0.45
KLK8 O60259 1/20 0.45
PLAU P00749 1/20 0.45
KLK2 P20151 1/20 0.45
KLK4 Q9Y5K2 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
IDO1 P14902 2/20 0.43
FDFT1 P37268 1/20 0.42

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
SCHEMBL20710690 0.90 PPARG (0.46) PPARGPPARAACP3MRGPRX4MAPK14
SCHEMBL22321991 0.86 ACP3 (0.56) PPARGPPARAACP3MRGPRX4MAPK14
SCHEMBL563232 0.79 KLK8 (0.63) KDM4EKLK8PLAUKLK2KLK4
SCHEMBL8938041 0.78 ACP3 (0.66) PPARGPPARAACP3MRGPRX4MAPK14
SCHEMBL22321978 0.77 KDM4E (0.50) PPARGPPARAACP3MRGPRX4KDM4E
SCHEMBL1276968 0.76 KDM4E (0.49) PPARGPPARAACP3MRGPRX4KDM4E
SCHEMBL10837937 0.75 LMNA (0.48) PPARGPPARAACP3MRGPRX4KDM4E
SCHEMBL22321979 0.74 SRC (0.53) PPARGPPARAACP3MRGPRX4KDM4E
SCHEMBL20710757 0.74 L3MBTL1 (0.49) PPARGPPARAKDM4EALDH1A1LMNA
SCHEMBL20703817 0.73 KLK8 (0.45) PPARGPPARAMAPK14KLK8PLAU

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 PPARG 892/4885PPARA 511/4885ACP3 78/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 PPARG 892/4885PPARA 511/4885ACP3 78/4885

“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.