SCHEMBL6841007

SCHEMBL6841007

O=C(O)c1cc(Br)c(OCCO)c(I)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.45
TTR P02766 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PLAU P00749 1/20 0.41
MCHR1 Q99705 1/20 0.40
THRA P10827 7/20 0.38
THRB P10828 7/20 0.38
KLK1 P06870 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.37
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 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
SCHEMBL26828022 0.88 TPMT (0.52) TPMTKMT2AMEN1PLAUTHRA
SCHEMBL5988755 0.81 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9623646 0.81 TPMT (0.55) TPMTTTRKMT2AMEN1PLAU
SCHEMBL31619991 0.75 GAA (0.44) TPMTKMT2AMEN1THRATHRB
SCHEMBL28314163 0.75 TPMT (0.49) TPMTTTRKMT2AMEN1PLAU
SCHEMBL8913807 0.74 PLAU (0.46) TPMTKMT2AMEN1PLAUL3MBTL1
SCHEMBL6725404 0.71 TPMT (0.45) TPMTPLAUTHRATHRBSMN1; SMN2
SCHEMBL25788119 0.71 PLA2G2A (0.64) THRATHRBALDH1A1
SCHEMBL25788122 0.71 PLA2G2A (0.64) THRATHRBALDH1A1
SCHEMBL6725846 0.71 PLA2G2A (0.64) THRATHRBALDH1A1

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-6765021-B2 ANTIDIABETIC AGENTS WYETH 2004-07-20 US disclosed
US-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-05-01 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-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 TPMT 4239/4885TTR 2592/4885KMT2A 3534/4885

“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.