SCHEMBL564105

SCHEMBL564105

O=C(c1cc[c]cc1)C(Br)Br

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.56
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 1/20 0.31
LMNA P02545 1/20 0.31
CES1 P23141 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
SCHEMBL9644843 0.82 GSK3B (0.76) GSK3BALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL1714628 0.78 CES2 (0.37) GSK3BTDP1L3MBTL1CES2LMNA
SCHEMBL4316411 0.76 KDM4E (0.47) GSK3BALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL27994581 0.76 PDPK1 (0.52) GSK3BALDH1A1TDP1L3MBTL1CES2
SCHEMBL27677325 0.76 CES2 (0.53) ALDH1A1TDP1L3MBTL1CES2LMNA
SCHEMBL379271 0.75 GSK3B (0.60) GSK3BALDH1A1TDP1L3MBTL1CES2
SCHEMBL8740775 0.75 GSK3B (0.60) GSK3BALDH1A1TDP1L3MBTL1CES2
SCHEMBL27643168 0.74 LMNA (0.34) GSK3BALDH1A1TDP1L3MBTL1CES2
SCHEMBL2096724 0.73 GSK3B (0.64) GSK3BCYP1A2CES2LMNACES1
SCHEMBL2962521 0.73 GSK3B (0.64) GSK3BALDH1A1CES2CES1

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-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 GSK3B 1310/4885ALDH1A1 325/4885CYP1A2 70/4885

“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.