SCHEMBL4852222

SCHEMBL4852222

Brc1cc(Br)c2[nH]c[c]c2c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9740762 0.67 CA2 (0.42) TSHR
SCHEMBL4851597 0.64
SCHEMBL27857637 0.63 DYRK1A (0.39)
SCHEMBL207535 0.61 AHR (0.42)
SCHEMBL29516807 0.59 ALDH1A1 (0.43) CYP3A4TSHRTDP1
SCHEMBL16672373 0.59 ALDH1A1 (0.43) CYP3A4TSHRTDP1
SCHEMBL152187 0.58 CSNK2A1 (0.44)
SCHEMBL8995163 0.58 AHR (0.48) CYP3A4TSHRTDP1
SCHEMBL25369531 0.55 CYP3A4 (0.41) CYP3A4TSHRTDP1
SCHEMBL8071828 0.55 CYP3A4 (0.31) CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323488-B2 Chromogenic enzyme substrates BURTON MICHAEL 2008-01-29 US claimed
EP-1436411-B1 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2005-12-14 EP claimed
US-20050124556-A1 Chromogenic enzyme substrates BURTON MICHAEL (GB) 2005-06-09 US claimed
EP-1436411-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY Burton, Michael (GB) 2004-07-14 EP claimed
WO-2003035896-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2003-05-01 WO claimed
US-7323488-B2 Chromogenic enzyme substrates BURTON MICHAEL 2008-01-29 US disclosed
EP-1436411-B1 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2005-12-14 EP disclosed
US-20050124556-A1 Chromogenic enzyme substrates BURTON MICHAEL (GB) 2005-06-09 US disclosed
EP-1436411-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY Burton, Michael (GB) 2004-07-14 EP disclosed
WO-2003035896-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2003-05-01 WO 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-20050124556-A1 Chromogenic enzyme substrates DCXR, MGAM, IDE CYP3A4 228/4885TSHR 1935/4885TDP1 719/4885

“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.