SCHEMBL16723871

SCHEMBL16723871

CC(=O)c1c(Br)c(Br)c(C(C)=O)c(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
CYP3A4 P08684 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 2/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14346937 0.90 PTPN1 (0.40) PTPN1CYP3A4THRBMEN1HPGD
SCHEMBL11654722 0.84 PTPN1 (0.33) PTPN1CYP3A4THRBMEN1HPGD
SCHEMBL8512654 0.80 THRB (0.32) PTPN1CYP3A4THRBMEN1HPGD
SCHEMBL5475366 0.78 CYP3A4 (0.40) PTPN1CYP3A4THRBMEN1HPGD
SCHEMBL22857427 0.74 THRB (0.32) PTPN1CYP3A4THRBMEN1HPGD
SCHEMBL31342066 0.68 CES2 (0.39) CYP3A4THRBMEN1HPGDKMT2A
SCHEMBL10497731 0.67 CYP3A4 (0.43) CYP3A4THRBMEN1HPGDKMT2A
SCHEMBL1666582 0.67 CYP1A2 (0.41) CYP3A4THRBMEN1HPGDKMT2A
SCHEMBL19149846 0.67 CYP3A4 (0.48) CYP3A4THRBMEN1HPGDKMT2A
SCHEMBL3127761 0.67 CYP3A4 (0.41) CYP3A4THRBMEN1HPGDKMT2A

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-9593197-B2 Trigger-responsive chain-shattering polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-03-14 US disclosed
US-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-05-21 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-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers SGTA, FUS, EWSR1 PTPN1 3893/4885CYP3A4 2644/4885THRB 3371/4885

“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.