SCHEMBL2927809

SCHEMBL2927809

CC(C)c1cccc(C(C)C)c1Nc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
KMT2A Q03164 3/20 0.41
LPAR1 Q92633 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CXCL8 P10145 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
GABRA1 P14867 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 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
SCHEMBL4804825 0.79 CXCL8 (0.44) LMNAKMT2ALPAR1MEN1L3MBTL1
SCHEMBL2458400 0.78 MAPT (0.47) LMNAKMT2ALPAR1RECQLKDM4E
SCHEMBL13800729 0.78 LMNA (0.41) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL4131377 0.78 CXCR2 (0.45) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL30299532 0.78 MAPT (0.47) LMNAKMT2ALPAR1RECQLKDM4E
SCHEMBL812723 0.77 GABRA1 (0.52) LMNAKMT2ALPAR1MEN1SMN1; SMN2
SCHEMBL1821014 0.76 LMNA (0.51) LMNAKMT2ALPAR1L3MBTL1CXCL8
Hydrochloric Acid SCHEMBL31043542 0.76 MAPT (0.46) LMNAKMT2ALPAR1RECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303525-B1 PRODUCTION OF NOVEL PHOSPHANE LIGANDS AND USE IN CATALYTICAL REACTIONS EVONIK DEGUSSA GMBH (DE) 2010-09-08 EP disclosed
US-7553924-B2 Catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (RW) 2009-06-30 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-7271276-B2 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2007-09-18 US disclosed
US-20050288505-A1 Metal complexes for catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US disclosed
US-20050288504-A1 Ligands for metals as catalysts for carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-12-29 US disclosed
US-20050137382-A1 Catalytic carbon-carbon bond formation NATIONAL SUN YAT-SEN UNIVERSITY 2005-06-23 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 (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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 LMNA 4652/4885KMT2A 2700/4885LPAR1 383/4885
US-20050137382-A1 Catalytic carbon-carbon bond formation CBR1, NR1H2, NR1H3 LMNA 4846/4885KMT2A 1760/4885LPAR1 351/4885
US-20050288504-A1 Ligands for metals as catalysts for carbon-carbon bond formation NCOR2, NCOR1, NR1I2 LMNA 4773/4885KMT2A 1591/4885LPAR1 447/4885
US-20050288505-A1 Metal complexes for catalytic carbon-carbon bond formation CBR1, NR2C2, NCOR2 LMNA 4807/4885KMT2A 1659/4885LPAR1 607/4885

“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.