SCHEMBL8900317

SCHEMBL8900317

Brc1ccccc1/C=C\c1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.62
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
BCHE P06276 1/20 0.47
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR3 P22607 1/20 0.46
NFE2L2 Q16236 1/20 0.46
LY96 Q9Y6Y9 1/20 0.46
IKBKB O14920 1/20 0.43
DYRK2 Q92630 1/20 0.43
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 2/20 0.41
EGFR P00533 1/20 0.40
ATM Q13315 1/20 0.40
METAP2 P50579 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL1751871 1.00 HSD11B1 (0.62) HSD11B1KMT2AMEN1NPC1HSP90AA1
SCHEMBL297691 1.00 HSD11B1 (0.62) HSD11B1KMT2AMEN1NPC1HSP90AA1
SCHEMBL31613215 1.00 HSD11B1 (0.62) HSD11B1KMT2AMEN1NPC1HSP90AA1
SCHEMBL3328957 0.89 HSD11B1 (0.54) HSD11B1KMT2AMEN1NPC1HSP90AA1
SCHEMBL3328961 0.89 HSD11B1 (0.54) HSD11B1KMT2AMEN1NPC1HSP90AA1
SCHEMBL14752283 0.89 HSD11B1 (0.54) HSD11B1KMT2AMEN1NPC1HSP90AA1
SCHEMBL38650618 0.88 HSD11B1 (0.58) HSD11B1KMT2AMEN1NPC1HSP90AA1
SCHEMBL1812179 0.88 HSD11B1 (0.58) HSD11B1KMT2AMEN1NPC1HSP90AA1
SCHEMBL30364986 0.87 NFE2L2 (0.56) HSD11B1KMT2AMEN1NPC1NFE2L2
SCHEMBL14703725 0.87 NFE2L2 (0.56) HSD11B1KMT2AMEN1NPC1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180053893-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-22 US disclosed
US-20130059996-A1 Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings THE JOHNS HOPKINS UNIVERSITY 2013-03-07 US disclosed
US-20130059996-A1 Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings THE JOHNS HOPKINS UNIVERSITY 2013-03-07 US disclosed
EP-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
US-5521160-A COMPOUNDS FOR TREATMENT OF ATHERIOSCLEROSIS IN BLOOD VESSELS AND PREVENTION OF RESTENOSIS AFTER ANGIOPLASTY HOFFMANN-LA ROCHE INC. (US) 1996-05-28 US disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP 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 (2 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-20180053893-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 HSD11B1 1220/4885KMT2A 1836/4885MEN1 450/4885
US-20130059996-A1 Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings PNN, CIAPIN1, VNN1 HSD11B1 3340/4885KMT2A 4092/4885MEN1 2375/4885

“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.