SCHEMBL5549539

SCHEMBL5549539

CC(=O)c1cc(CBr)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.47
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KLKB1 P03952 1/20 0.43
CTSB P07858 1/20 0.43
MMP9 P14780 1/20 0.43
DNMT1 P26358 1/20 0.43
DNMT3B Q9UBC3 1/20 0.43
DNMT3L Q9UJW3 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CDC25B P30305 1/20 0.42
CASP6 P55212 1/20 0.42
RCE1 Q9Y256 1/20 0.42
LCK P06239 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
HNF4A P41235 1/20 0.39

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
SCHEMBL2857663 0.88 KLKB1 (0.48) CFDCYP4F2CYP4A11KLKB1CTSB
SCHEMBL28499997 0.83 ALDH1A1 (0.48) CFDKLKB1CTSBMMP9DNMT1
Acetic Acid SCHEMBL28404737 0.80 EPHX2 (0.47) CFDCYP4F2CYP4A11KLKB1CTSB
SCHEMBL18680481 0.79 CYP4F2 (0.45) CFDCYP4F2CYP4A11ALDH1A1CES2
SCHEMBL12363353 0.79 CYP4F2 (0.45) CFDCYP4F2CYP4A11KLKB1CTSB
SCHEMBL11337098 0.79 MAOA (0.53) CYP4F2CYP4A11KLKB1CTSBMMP9
SCHEMBL1179532 0.79 CYP4F2 (0.49) CFDCYP4F2CYP4A11KLKB1CTSB
SCHEMBL10254119 0.79 MAOB (0.43) CYP4F2CYP4A11ALDH1A1CES2CES1
SCHEMBL33493 0.79 NR1H4 (0.50) CFDCYP4F2CYP4A11KLKB1CTSB
Acetic Acid SCHEMBL27407337 0.79 TSHR (0.52) CFDCYP4F2CYP4A11KLKB1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-20040142378-A1 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-07-22 US disclosed
US-20040031122-A1 Wiping device VALEO WISCHERSYSTEME GMBH (DE) 2004-02-19 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-20040142378-A1 Probe for mass spectrometry of liquid sample MRPS22, MRPS27, MRPS23 CFD 1136/4885CYP4F2 1738/4885CYP4A11 2580/4885

“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.