SCHEMBL9630706

SCHEMBL9630706

O=COC(=O)c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5806493 0.85 CYP3A4 (0.47) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL2832871 0.82 CES2 (0.52) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL25574049 0.82 ESR1 (0.45) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL28740020 0.79 CES2 (0.48) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL6062757 0.79 CES2 (0.62) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL3398637 0.79 CES2 (0.62) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL8378855 0.79 CES2 (0.62) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL2359279 0.78 ALDH1A1 (0.58) ALDH1A1ALOX15TSHRTDP1MAPT
SCHEMBL22734770 0.78 CES2 (0.52) CES2CES1KMT2AMEN1TDP1
SCHEMBL31711359 0.78 NPC1 (0.49) KMT2ATSHRMEN1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438452-A The method of level-one amine guiding building 6- (2- fluorophenyl) indoles simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-03-08 CN claimed
CN-108101856-A Acyl group substitutes the preparation method of pyrazine compounds 河南农业大学 2018-06-01 CN claimed
CN-113072440-A Amphiphilic fluorine-containing benzoyl formate photoinitiator suitable for LED photopolymerization and preparation method thereof 北京化工大学 2021-07-06 CN disclosed
US-20200385328-A1 METHOD FOR PRODUCING BENZOYL FORMIC ACID COMPOUND AND PYRIDAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-12-10 US disclosed
CN-108101856-B Preparation method of acyl-substituted pyrazine compound HENAN AGRICULTURAL UNIVERSITY (CN) 2019-12-10 CN disclosed
CN-109438452-A The method of level-one amine guiding building 6- (2- fluorophenyl) indoles simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-03-08 CN disclosed
CN-109438452-A The method of level-one amine guiding building 6- (2- fluorophenyl) indoles simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-03-08 CN disclosed
CN-108101856-A Acyl group substitutes the preparation method of pyrazine compounds 河南农业大学 2018-06-01 CN disclosed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US disclosed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP 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 (1 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-20200385328-A1 METHOD FOR PRODUCING BENZOYL FORMIC ACID COMPOUND AND PYRIDAZINE COMPOUND SDHA, FDPS, NDUFS5 CES2 3534/4885CES1 4147/4885ALDH1A1 586/4885

“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.