SCHEMBL6662766

SCHEMBL6662766

Cc1c(Br)ccc(Br)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.47
CYP2A6 P11509 2/20 0.39
PRKDC P78527 1/20 0.34
ALDH1A1 P00352 6/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 2/20 0.31
HSP90AA1 P07900 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 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
SCHEMBL18300001 0.86 ERN1 (0.40) ERN1CYP2A6PRKDCALDH1A1MEN1
SCHEMBL11993044 0.86 ERN1 (0.44) ERN1CYP2A6PRKDCALDH1A1LMNA
SCHEMBL1390662 0.82 ERN1 (0.46) ERN1MAPT
SCHEMBL31184476 0.82 ERN1 (0.38) ERN1PRKDCALDH1A1MAPTHPGD
SCHEMBL7864192 0.82 ERN1 (0.50) ERN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29743687 0.82 ERN1 (0.46) ERN1MAPT
SCHEMBL15748351 0.82 ERN1 (0.38) ERN1PRKDCALDH1A1
SCHEMBL30600412 0.81 ERN1 (0.50) ERN1CYP2A6PRKDCALDH1A1LMNA
SCHEMBL7864198 0.79 ERN1 (0.66) ERN1PRKDCALDH1A1LMNAMAPT
SCHEMBL700676 0.79 L3MBTL1 (0.40) ERN1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642689-B 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2022-06-24 CN claimed
CN-110642689-A 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2020-01-03 CN claimed
CN-110642689-B 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2022-06-24 CN disclosed
CN-110642689-B 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2022-06-24 CN disclosed
CN-110642689-B 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2022-06-24 CN disclosed
CN-110642689-A 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2020-01-03 CN disclosed
CN-110642689-A 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2020-01-03 CN disclosed
CN-110642689-A 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof 南通大学 2020-01-03 CN disclosed
EP-1131307-B1 METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES BASF AG (DE) 2004-08-25 EP disclosed
US-6716989-B2 CYCLIZATION OF A BENZYLOXIME WITH BRANCHED ALKENE OR OF A BENZALKYLALDEHYDE WITH HYDROXYLAMINE AND SULFIDING BASF AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed
US-20030229232-A1 Herbicides RACK MICHAEL (DE) 2003-12-11 US disclosed
US-6603017-B2 Herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
US-6548677-B1 Halogenating o-xylene; reacting with hydrogen peroxide and halogenating agent to form a benzyl halide; oxidation to aldehyde; oximination, cyclization, and sulfiding BASF AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020156290-A1 Herbicides RACK MICHAEL (DE) 2002-10-24 US disclosed
EP-1131307-A1 METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
WO-2000029395-A1 METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 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 (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-20020156290-A1 Herbicides CBR3, CBR1, SULT1E1 ERN1 1730/4885CYP2A6 36/4885PRKDC 3657/4885
US-20030229232-A1 Herbicides CBR3, CBR1, SULT1E1 ERN1 1630/4885CYP2A6 39/4885PRKDC 3664/4885

“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.