SCHEMBL734833

SCHEMBL734833

O=C(Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
KMT2A Q03164 3/20 0.51
PKM P14618 1/20 0.51
HSPB1 P04792 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CES1 P23141 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CES2 O00748 1/20 0.47
MAPT P10636 2/20 0.47
MGLL Q99685 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46

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
P-Nitrophenol SCHEMBL6226065 0.95 GAA (0.51) GAABCL9CTNNB1KMT2APKM
Nitrophenolate SCHEMBL7898029 0.86 ALDH1A1 (0.44) GAABCL9CTNNB1KMT2APKM
SCHEMBL9775366 0.84 GAA (0.53) GAABCL9CTNNB1KMT2APKM
SCHEMBL14080952 0.84 ELANE (0.40) GAABCL9CTNNB1KMT2APKM
SCHEMBL9496344 0.84 GAA (0.53) GAABCL9CTNNB1KMT2APKM
Trifluoroacetic Acid SCHEMBL31064275 0.83 GAA (0.53) GAABCL9CTNNB1KMT2APKM
SCHEMBL9488809 0.82 GAA (0.56) GAABCL9CTNNB1KMT2APKM
SCHEMBL4941164 0.82 ELANE (0.61) GAABCL9CTNNB1KMT2APKM
SCHEMBL15908462 0.81 BCL9 (0.56) GAABCL9CTNNB1KMT2APKM
SCHEMBL3310085 0.81 GAA (0.58) GAABCL9CTNNB1KMT2APKM

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 447 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4603476-A1 NOVEL CERAMIDE, PREPARATION METHOD THEREFOR, AND USE THEREOF Shenzhen Dikeman Biotechnology Co., Ltd. (CN) 2025-08-20 EP claimed
CN-119944047-A Solid electrolyte, preparation method thereof, battery and power utilization device 广州汽车集团股份有限公司 2025-05-06 CN claimed
CN-118659026-A Solid-state battery, preparation method thereof and power utilization device 广州汽车集团股份有限公司 2024-09-17 CN claimed
CN-118406404-A Circuit board ink-jet printing ink stripping agent and preparation method and application thereof 珠海市板明科技有限公司 2024-07-30 CN claimed
CN-114727912-B Cross-linked hyaluronic acid butyrate or butyrate-formate derivative and cross-linking method thereof 贝曼吉制药公司 2024-06-14 CN claimed
WO-2024078483-A1 NOVEL CERAMIDE, PREPARATION METHOD THEREFOR, AND USE THEREOF 深圳市迪克曼生物科技有限公司 2024-04-18 WO claimed
US-20220411541-A1 CROSSLINKED BUTYRATE OR BUTYRATE-FORMATE DERIVATIVES OF HYALURONIC ACID AND THE CROSSLINKING THEREOF BMG PHARMA S.P.A. (IT) 2022-12-29 US claimed
CN-114727912-A Cross-linked hyaluronic acid butyrate or butyrate-formate derivative and cross-linking method thereof 贝曼吉制药公司 2022-07-08 CN claimed
WO-2021099977-A1 CROSSLINKED BUTYRATE OR BUTYRATE-FORMATE DERIVATIVES OF HYALURONIC ACID AND THE CROSSLINKING PROCESS THEREOF BMG PHARMA S.P.A. (IT) 2021-05-27 WO claimed
CN-109991221-A A kind of preparation method of Prolyl iminopeptidase Test paper 迪瑞医疗科技股份有限公司 2019-07-09 CN claimed
US-20080175852-A1 SYNTHESIS OF PHOSPHOCHOLINE ESTER DERIVATIVES AND CONJUGATES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2008-07-24 US claimed
EP-1137670-B1 CROSS-LINKING PROCESS OF CARBOXYLATED POLYSACCHARIDES FARMILA THEA FARMACEUTICI S P (IT) 2005-03-23 EP claimed
CN-1144818-C Method for cross-linking carboxylated polysaccharides ����˹�ٰ¹ɷݹ�˾ 2004-04-07 CN claimed
EP-0749446-B1 HIGHLY REACTIVE ESTERS OF CARBOXY POLYSACCHARIDES AND NOVEL CARBOXY POLYSACCHARIDES DERIVED THEREFROM FIDIA ADVANCED BIOPOLYMERS SRL (IT) 1999-11-24 EP claimed
US-5856299-A ESTERIFICATION WITH ALCOHOL FIDIA ADVANCED BIOPOLYMERS S.R.L. (IT) 1999-01-05 US claimed
EP-0749446-A1 HIGHLY REACTIVE ESTERS OF CARBOXY POLYSACCHARIDES AND NOVEL CARBOXY POLYSACCHARIDES DERIVED THEREFROM FIDIA ADVANCED BIOPOLYMERS S.R.L. (IT) 1996-12-27 EP claimed
WO-1995024429-A1 HIGHLY REACTIVE ESTERS OF CARBOXY POLYSACCHARIDES AND NOVEL CARBOXY POLYSACCHARIDES DERIVED THEREFROM FIDIA ADVANCED BIOPOLYMERS S.R.L. (IT) 1995-09-14 WO claimed
EP-0119091-B1 2,2-DIETHOXYPROPIONIC ACID DERIVATIVES PFIZER INC. (US) 1987-09-30 EP claimed
EP-0119091-A2 2,2-Diethoxypropionic acid derivatives PFIZER INC. (US) 1984-09-19 EP claimed
EP-0089781-A2 Bicyclic benzo fused compounds PFIZER INC. (US) 1983-09-28 EP claimed

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-20080175852-A1 SYNTHESIS OF PHOSPHOCHOLINE ESTER DERIVATIVES AND CONJUGATES THEREOF PHOSPHO1, SGMS1, SGMS2 GAA 2850/4885BCL9 3353/4885CTNNB1 4732/4885

“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.