SCHEMBL657316

SCHEMBL657316

BrC(Br)=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
CA1 P00915 2/20 0.47
MGLL Q99685 2/20 0.47
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
FBP1 P09467 1/20 0.41
AKR1C3 P42330 1/20 0.40
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL31393473 0.90 TP53 (0.43) TP53CA1MGLLMEN1POLB
SCHEMBL180460 0.85 AKR1C3 (0.52) ALDH1A1LMNAMAPTFBP1AKR1C3
SCHEMBL23904121 0.82 TP53 (0.53) TP53CA1MGLLMEN1POLB
SCHEMBL23904120 0.82 TP53 (0.53) TP53CA1MGLLMEN1POLB
SCHEMBL28633101 0.80 TRIM24 (0.44) TP53MGLLHDAC2ALDH1A1BCL2L1
SCHEMBL18970461 0.80 TP53 (0.61) TP53CA1MGLLMEN1POLB
Formic Acid SCHEMBL28230386 0.76 ALDH1A1 (0.50) ALDH1A1MAPK1LMNAMAPTFBP1
SCHEMBL26604330 0.76 TP53 (0.57) TP53CA1MGLLMEN1POLB
Butadiene SCHEMBL9504523 0.76 ALDH1A1 (0.46) ALDH1A1MAPK1LMNAMAPTFBP1
SCHEMBL338880 0.74 CYP19A1 (0.61) TP53CA1MGLLMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908798-A Synthesis method of deuterium labeling substance containing gem-di-deuterium olefin structural unit 合源(泰州)新材料科技有限公司 2024-11-08 CN disclosed
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-23 US disclosed
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
EP-1558571-B1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-02 EP disclosed
US-7709528-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-04 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
US-20060287393-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2006-12-21 US disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 WO disclosed
EP-1558571-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050080115-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-04-14 US disclosed
WO-2004037775-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2004-05-06 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 (5 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-20060287393-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA TP53 2598/4885CA1 4881/4885MGLL 631/4885
US-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA TP53 2605/4885CA1 4883/4885MGLL 526/4885
US-20050080115-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA TP53 2598/4885CA1 4881/4885MGLL 631/4885
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE PPARG, PPARD, PPARA TP53 2598/4885CA1 4881/4885MGLL 631/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 TP53 3487/4885CA1 4832/4885MGLL 126/4885

“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.