SCHEMBL6304064

SCHEMBL6304064

CC(C)(C)OC(=O)c1cccc2ccc(CBr)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
CNR2 P34972 4/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PTPN1 P18031 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
MTNR1A P48039 1/20 0.37
SLC7A5 Q01650 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
BACE1 P56817 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
NR1H2 P55055 1/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.35

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
SCHEMBL6235824 0.89 CYP4F2 (0.38) CYP4F2CYP4A11PTPN1ADRB2ADRB1
SCHEMBL6303858 0.80 CNR2 (0.38) NQO2CNR2ADRB2ADRB1ADRB3
SCHEMBL9400308 0.80 PTPN1 (0.44) CNR2CYP4F2CYP4A11PTPN1MTNR1A
SCHEMBL6306590 0.78 MTNR1A (0.37) NQO2CNR2ADRB2ADRB1ADRB3
SCHEMBL6303622 0.78 NR4A1 (0.55) CNR2PTPN1PLA2G2D
SCHEMBL974720 0.78 NR4A1 (0.53) PTPN1ADRB2ADRB1ADRB3KMT2A
SCHEMBL6306592 0.78 MTNR1A (0.36) NQO2CNR2ADRB2ADRB1ADRB3
SCHEMBL1204440 0.77 KDM4E (0.56) ADRB2ADRB1ADRB3MTNR1AKMT2A
SCHEMBL6306594 0.77 CNR2 (0.37) NQO2CNR2ADRB2ADRB1ADRB3
SCHEMBL31395544 0.76 KDM4E (0.54) ADRB2ADRB1ADRB3MTNR1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943267-B1 compounds structurally resemble the substrates of the enzymes, but have nonhydrolyzable mono protonated thiophosphonate salts; chromatography or distillations not required UTAH STATE UNIVERSITY (US) 2005-09-13 US disclosed
US-20050049431-A1 Thiophosphonate inhibitors of phosphatase enzymes and metallophosphatases UTAH STATE UNIVERSITY 2005-03-03 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-20050049431-A1 Thiophosphonate inhibitors of phosphatase enzymes and metallophosphatases PPME1, MTMR1, PTPRE NQO2 945/4885CNR2 4521/4885CYP4F2 1105/4885

“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.