SCHEMBL18680481

SCHEMBL18680481

CC(=O)c1cc(CBr)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
MAOB P27338 6/20 0.40
MAOA P21397 5/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CFD P00746 1/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTPN1 P18031 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL10254119 0.85 MAOB (0.43) CYP4F2CYP4A11RAB9AMAPTMAOB
SCHEMBL7514179 0.82 PTPN1 (0.47) CYP4F2CYP4A11ALDH1A1CFDHPGD
SCHEMBL12363353 0.81 CYP4F2 (0.45) CYP4F2CYP4A11MAOBMAOASMN1; SMN2
SCHEMBL11337098 0.81 MAOA (0.53) CYP4F2CYP4A11MAOBMAOASMN1; SMN2
SCHEMBL603667 0.80 ALDH1A1 (0.50) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL26162686 0.79 CYP4F2 (0.44) CYP4F2CYP4A11MAOBMAOACFD
SCHEMBL5549539 0.79 CFD (0.47) CYP4F2CYP4A11MAOBMAOAALDH1A1
SCHEMBL26162696 0.79 CYP4F2 (0.44) CYP4F2CYP4A11MAOBMAOASMN1; SMN2
SCHEMBL7078432 0.77 MRGPRX4 (0.46) CYP4F2CYP4A11MAPTALDH1A1SMN1; SMN2
SCHEMBL20157429 0.76 SRD5A2 (0.49) CYP4F2CYP4A11RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088332-A1 Oxygen Scavenging Molecules, Articles Containing Same, and Methods of Their Use CONSTAR INTERNATIONAL LLC 2017-03-30 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-20170088332-A1 Oxygen Scavenging Molecules, Articles Containing Same, and Methods of Their Use SQOR, SCO2, DUOX2 CYP4F2 897/4885CYP4A11 2126/4885RAB9A 3559/4885

“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.