SCHEMBL92809

SCHEMBL92809

COc1cc(OC)c(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.64
ALOX15 P16050 2/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
HPGD P15428 1/20 0.64
HTR2A P28223 2/20 0.53
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL12781654 0.92 CYP3A4 (0.68) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL13939800 0.92 ALOX15 (0.68) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL398164 0.92 CYP3A4 (0.74) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL12781707 0.89 HPGD (0.53) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL85484 0.85 LMNA (0.55) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL12401770 0.85 LMNA (0.55) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL23665988 0.84 LMNA (0.53) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL5082769 0.84 ALOX15 (0.84) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL12401755 0.84 LMNA (0.53) CYP3A4ALOX15LMNATP53HPGD
SCHEMBL13169383 0.84 LMNA (0.53) CYP3A4ALOX15LMNATP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283501-A Preparation of novel biphenyl tetradentate phosphonite ligand and application of ligand in mixed/etherified carbon tetrahydroformylation reaction 广东欧凯新材料有限公司 2023-06-23 CN claimed
CN-111909207-A Preparation of novel biphenyl tetradentate phosphonite ligand and application of novel biphenyl tetradentate phosphonite ligand in mixed/ether post-carbon hydroformylation reaction 惠州凯特立斯科技有限公司 2020-11-10 CN claimed
US-20090270470-A1 Compounds I ASTRAZENECA AB (SE) 2009-10-29 US claimed
EP-1881950-A1 NEW COMPOUNDS I AstraZeneca AB (SE) 2008-01-30 EP claimed
WO-2006121391-A1 NEW COMPOUNDS I ASTRAZENECA AB (SE) 2006-11-16 WO claimed
CN-111909207-B Preparation of novel biphenyl tetradentate phosphonite ligand and application of ligand in mixed/etherified carbon tetrahydroformylation reaction 广东欧凯新材料有限公司 2023-09-15 CN disclosed
CN-116283501-A Preparation of novel biphenyl tetradentate phosphonite ligand and application of ligand in mixed/etherified carbon tetrahydroformylation reaction 广东欧凯新材料有限公司 2023-06-23 CN disclosed
CN-111909207-A Preparation of novel biphenyl tetradentate phosphonite ligand and application of novel biphenyl tetradentate phosphonite ligand in mixed/ether post-carbon hydroformylation reaction 惠州凯特立斯科技有限公司 2020-11-10 CN disclosed
US-8232428-B2 Polycationic compounds and uses thereof PolyMedix,Inc. (US) 2012-07-31 US disclosed
US-8129566-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2012-03-06 US disclosed
US-20110124664-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2011-05-26 US disclosed
US-20100298344-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. 2010-11-25 US disclosed
US-20090270470-A1 Compounds I ASTRAZENECA AB (SE) 2009-10-29 US disclosed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
EP-1881950-A1 NEW COMPOUNDS I AstraZeneca AB (SE) 2008-01-30 EP disclosed
WO-2006121391-A1 NEW COMPOUNDS I ASTRAZENECA AB (SE) 2006-11-16 WO disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 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 (4 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-20090270470-A1 Compounds I F12, F11, F5 CYP3A4 133/4885ALOX15 2063/4885LMNA 869/4885
US-20100298344-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF CYP3A4 4721/4885ALOX15 1107/4885LMNA 3716/4885
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 CYP3A4 716/4885ALOX15 1015/4885LMNA 2299/4885
US-20110124664-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF CYP3A4 4721/4885ALOX15 1107/4885LMNA 3716/4885

“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.