SCHEMBL3058646

SCHEMBL3058646

O=C(O)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.78
CES1 P23141 2/20 0.78
SRD5A2 P31213 2/20 0.61
PTPN1 P18031 2/20 0.58
CPT1B Q92523 1/20 0.54
GSK3B P49841 2/20 0.53
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
CYP1A1 P04798 1/20 0.49
MAOB P27338 1/20 0.49
CYP1B1 Q16678 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
EPHX2 P34913 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 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
SCHEMBL6811737 0.94 CES2 (0.69) CES2CES1SRD5A2PTPN1CPT1B
SCHEMBL3172262 0.88 CES2 (1.00) CES2CES1SRD5A2PTPN1GSK3B
SCHEMBL2834217 0.84 CES2 (0.83) CES2CES1SRD5A2PTPN1GSK3B
SCHEMBL9042059 0.84 CES2 (0.56) CES2CES1PTPN1CYP1A1MAOB
SCHEMBL78879 0.81 SRD5A2 (0.87) CES2CES1SRD5A2PTPN1GSK3B
SCHEMBL1330891 0.81 SRD5A2 (0.87) CES2CES1SRD5A2PTPN1GSK3B
SCHEMBL1435351 0.80 CES2 (0.75) CES2CES1SRD5A2PTPN1GSK3B
Potassium Ion SCHEMBL22587990 0.80 CES2 (0.75) CES2CES1SRD5A2PTPN1GSK3B
SCHEMBL5899483 0.80 CES2 (0.75) CES2CES1SRD5A2PTPN1GSK3B
SCHEMBL20010796 0.80 CES2 (0.83) CES2CES1SRD5A2PTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026917-A Benzocyanine derivative for detecting peroxynitrosyl, and preparation method and application thereof 海南医学院 2024-05-14 CN claimed
CN-111978201-B Synthesis method of N, N' -diaryl benzoyl hydrazine compound 甘肃农业大学 2023-01-03 CN claimed
CN-111978201-A Synthesis method of N, N' -diaryl benzoyl hydrazine compound 甘肃农业大学 2020-11-24 CN claimed
WO-2025056724-A1 IMINOAMIDE-TYPE COMPOUNDS AS LIGANDS FOR COPPER-CATALYZED COUPLING REACTIONS OF (HETERO)ARYL HALIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-03-20 WO disclosed
CN-118026917-A Benzocyanine derivative for detecting peroxynitrosyl, and preparation method and application thereof 海南医学院 2024-05-14 CN disclosed
CN-111978201-B Synthesis method of N, N' -diaryl benzoyl hydrazine compound 甘肃农业大学 2023-01-03 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111423394-B Synthesis method of 1,3, 4-oxadiazole heterocyclic compound 常州大学 2021-11-23 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-111978201-A Synthesis method of N, N' -diaryl benzoyl hydrazine compound 甘肃农业大学 2020-11-24 CN disclosed
CN-111423394-A Synthesis method of 1,3, 4-oxadiazole heterocyclic compound 常州大学 2020-07-17 CN disclosed
EP-2148869-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-02-03 EP disclosed
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed
EP-0915856-A4 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
CN-1226803-A Diphenyl heterocycles as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 1999-08-25 CN disclosed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 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 (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 4147/4885SRD5A2 155/4885

“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.