SCHEMBL22322005

SCHEMBL22322005

COc1ccc(OP(=O)(O)Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
ACP3 P15309 1/20 0.58
SRC P12931 1/20 0.57
CA4 P22748 1/20 0.56
HPGD P15428 1/20 0.56
LTA4H P09960 1/20 0.54
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL3246349 0.92 CES2 (0.53) PKMHTTACP3HPGDCES2
Fluoride SCHEMBL31047198 0.90 CES2 (0.52) PKMHTTACP3HPGDCES2
SCHEMBL27676341 0.87 SRC (0.73) SRCCA4CES2CES1POLB
SCHEMBL37038 0.87 SRC (0.73) SRCCA4CES2CES1POLB
Benzene SCHEMBL11142811 0.87 SRC (0.73) SRCCA4CES2CES1POLB
SCHEMBL30472722 0.86 SRC (0.59) PKMHTTSRCHPGDCES2
Phenyl Dihydrogen Phosphate SCHEMBL31484363 0.86 SRC (0.79) PKMHTTACP3SRCCA4
Methylamine SCHEMBL11592407 0.85 SRC (0.64) SRCCES2CES1POLBTDP1
SCHEMBL23241864 0.85 SRC (0.70) SRCCES2CES1POLBTDP1
SCHEMBL150325 0.85 SRC (0.70) SRCCES2CES1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652175-A Method for catalyzing epsilon-caprolactone to graft hydroxyethyl acrylate compound by using aromatic phosphate 兰州大学 2024-09-17 CN claimed
CN-113583042-B Preparation method of phosphoryl fluoride compound 烟台大学 2023-08-29 CN claimed
CN-118652175-A Method for catalyzing epsilon-caprolactone to graft hydroxyethyl acrylate compound by using aromatic phosphate 兰州大学 2024-09-17 CN disclosed
CN-113583042-B Preparation method of phosphoryl fluoride compound 烟台大学 2023-08-29 CN 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

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 PKM 571/4885HTT 1422/4885ACP3 78/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 PKM 571/4885HTT 1422/4885ACP3 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.