SCHEMBL4131377

SCHEMBL4131377

CC(C)c1cccc(C(C)C)c1Nc1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
LPAR1 Q92633 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CXCL8 P10145 3/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 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
SCHEMBL6744857 0.86 LMNA (0.47) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL31447156 0.86 LMNA (0.47) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL31723401 0.84 EGFR (0.38) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL4804825 0.79 CXCL8 (0.44) ALDH1A1MAPTLMNAKMT2ALPAR1
SCHEMBL31723403 0.78 GAA (0.38) CXCR2ALDH1A1MAPTLMNAKMT2A
SCHEMBL13800729 0.78 LMNA (0.41) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL2927809 0.78 LMNA (0.41) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL30299532 0.78 MAPT (0.47) ALDH1A1MAPTLMNAKMT2ALPAR1
SCHEMBL2458400 0.78 MAPT (0.47) ALDH1A1MAPTLMNAKMT2ALPAR1
SCHEMBL812723 0.77 GABRA1 (0.52) ALDH1A1MAPTLMNAKMT2ALPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109111487-A Organic electroluminescent material and device 环球展览公司 2019-01-01 CN disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US 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 (1 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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 CXCR2 460/4885ALDH1A1 2127/4885MAPT 3482/4885

“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.