SCHEMBL4045033

SCHEMBL4045033

CC1=CC=CC(C)(c2ccccc2F)C1N

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31

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
SCHEMBL8339102 0.77 MAOB (0.33)
SCHEMBL3821147 0.66
SCHEMBL18894299 0.66
SCHEMBL18301218 0.64
SCHEMBL22686864 0.61
SCHEMBL28662546 0.61 CHRNB2 (0.33)
SCHEMBL6546833 0.61
SCHEMBL24268043 0.60 ACHE (0.37) ACHE
SCHEMBL9781520 0.60
SCHEMBL11138213 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACHE 4603/4885
US-20050137382-A1 Catalytic carbon-carbon bond formation CBR1, NR1H2, NR1H3 ACHE 4280/4885
US-20050288504-A1 Ligands for metals as catalysts for carbon-carbon bond formation NCOR2, NCOR1, NR1I2 ACHE 4688/4885
US-20050288505-A1 Metal complexes for catalytic carbon-carbon bond formation CBR1, NR2C2, NCOR2 ACHE 4596/4885

“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.