SCHEMBL6202239

SCHEMBL6202239

O=C(c1ccccc1)C(O)c1ccc(Br)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.74
CES2 O00748 3/20 0.74
CES1 P23141 3/20 0.74
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
S1PR3 Q99500 1/20 0.42
AKR1C3 P42330 1/20 0.42
FPR2 P25090 1/20 0.41
HTR2A P28223 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
SCHEMBL6201840 0.92 LMNA (0.74) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL69238 0.90 CES2 (0.58) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL6199979 0.89 LMNA (0.64) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL5833429 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL10665271 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL27696284 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL2025536 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL145 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL901258 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL28120851 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113845533-B Bis-4, 5-diaryl imidazole ring carbene gold complex, and preparation method and application thereof 上海市第一人民医院 2023-09-29 CN disclosed
CN-113135958-B Application of nitrogen heterocyclic carbene selenium-gold compound in preparation of carbapenem-resistant acinetobacter baumannii resistant medicine 南京中医药大学 2022-05-27 CN disclosed
CN-113135958-A Application of nitrogen heterocyclic carbene selenium-gold compound in preparation of carbapenem-resistant acinetobacter baumannii resistant medicine 南京中医药大学 2021-07-20 CN disclosed
EP-1425283-B1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2005-03-16 EP disclosed
US-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-23 US disclosed
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
US-6225132-B1 DERIVATIZING AGENT COMPRISING A MULTIPHOTON-EMITTING RADIOISOTOPE AND A MOIETY THAT FORMS A NON-COVALENT CHEMICAL BOND WITH AN ANALYTE OF INTEREST, SUITABLE FOR DETECTION OF THE ANALYTE OF INTEREST BIOTRACES, INC. 2001-05-01 US disclosed
EP-0912899-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION Biotraces, Inc. (US) 1999-05-06 EP disclosed
US-5854084-A Enhanced chromatography using multiphoton detection BIOTRACES, INC. (US) 1998-12-29 US disclosed
WO-1998002750-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION BIOTRACES, INC. (US) 1998-01-22 WO disclosed
US-3937722-A PHOTOSENSITIZERS, IRRADIATION POLYMERIZATION, CROSSLINKING BAYER AG (DT) 1976-02-10 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 (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-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof DPYD, TPMT, TYMP LMNA 4528/4885CES2 2864/4885CES1 2522/4885

“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.