SCHEMBL3003288

SCHEMBL3003288

OCC=C(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL1746415 0.92 CYP3A4 (0.45) PPARDCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1746419 0.92 CYP3A4 (0.45) PPARDCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1746417 0.92 CYP3A4 (0.45) PPARDCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1746601 0.90 CTSL (0.42) PPARDCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1744845 0.90 BCL2L1 (0.47) PPARDCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1744847 0.90 BCL2L1 (0.47) PPARDCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1745228 0.90 BCL2L1 (0.47) PPARDCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1744742 0.90 ALDH1A1 (0.50) PPARDCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1746518 0.85 GSK3B (0.43) PPARDCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1746517 0.85 GSK3B (0.43) PPARDCYP3A4CYP2D6CYP1A2CYP2C9

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
US-20100197950-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC 2010-08-05 US claimed
EP-2029507-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES High Point Pharmaceuticals, LLC (US) 2009-03-04 EP claimed
WO-2007141295-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC (US) 2007-12-13 WO claimed
US-20100197950-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC 2010-08-05 US disclosed
US-20100197950-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC 2010-08-05 US disclosed
US-20100197950-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC 2010-08-05 US disclosed
EP-2029507-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES High Point Pharmaceuticals, LLC (US) 2009-03-04 EP disclosed
WO-2007141295-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC (US) 2007-12-13 WO disclosed
WO-2007141295-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC (US) 2007-12-13 WO disclosed
US-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US disclosed
US-6869967-B2 Peroxisome proliferator-activated receptor (PPAR) active vinyl carboxylic acid derivatives NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
EP-1414778-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC. NOVO NORDISK A/S (DK) 2004-05-06 EP disclosed
US-20030139473-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2003-07-24 US disclosed
WO-2003011807-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC. NOVO NORDISK A/S (DK) 2003-02-13 WO disclosed
EP-1171414-A1 COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-16 EP disclosed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 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-20030139473-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PPARD 2/4885CYP3A4 346/4885CYP2D6 227/4885
US-20100197950-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HAAO, HPD, PAH PPARD 1478/4885CYP3A4 44/4885CYP2D6 248/4885

“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.