SCHEMBL4612437

SCHEMBL4612437

Oc1cc2c(Br)cc1CCc1ccc(cc1Br)CC2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
RYR1 P21817 2/20 0.31
FKBP1A P62942 1/20 0.31
NR1H2 P55055 6/20 0.31
NR1H3 Q13133 6/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL4612611 0.84 TDP1 (0.31) RYR1FKBP1A
SCHEMBL2262585 0.82 NR1H2 (0.32) RYR1FKBP1ANR1H2NR1H3
SCHEMBL4612280 0.77
SCHEMBL19912596 0.77
SCHEMBL14031965 0.75 NR1H2 (0.40) NR1H2NR1H3PTGS1PTGS2
SCHEMBL4611348 0.75 DRD2 (0.30)
SCHEMBL4612743 0.75 SMN1; SMN2 (0.38)
SCHEMBL4612895 0.74 ERN1 (0.30)
SCHEMBL4613095 0.74 HTR2A (0.44) NR1H2NR1H3
SCHEMBL9732911 0.73 NR1H2 (0.42) NR1H2NR1H3PTGS1PTGS2

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
EP-1633762-B1 Paracyclophanes JOHNSON MATTHEY PLC (GB) 2008-10-29 EP disclosed
US-7256302-B2 Catalyst ligand with groups on one or both of the benzene rings in a paracyclophane structure; high activity and selectivity for asymmetric reactions, facilitate chiral resolution JOHNSON MATTHEY PLC (GB) 2007-08-14 US disclosed
US-7256302-B2 Catalyst ligand with groups on one or both of the benzene rings in a paracyclophane structure; high activity and selectivity for asymmetric reactions, facilitate chiral resolution JOHNSON MATTHEY PLC (GB) 2007-08-14 US disclosed
US-20060229473-A1 Catalyst ligand with groups on one or both of the benzene rings in a paracyclophane structure; high activity and selectivity for asymmetric reactions, facilitate chiral resolution JOHNSON MATTHEY PLC (GB) 2006-10-12 US disclosed
EP-1633762-A1 LIGANDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2006-03-15 EP disclosed
WO-2004111065-A1 LIGANDS JOHNSON MATTHEY PLC (GB) 2004-12-23 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 (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-20060229473-A1 Catalyst ligand with groups on one or both of the benzene rings in a paracyclophane structure; high activity and selectivity for asymmetric reactions, facilitate chiral resolution C1S, CCR1, CYC1 KDM1A 3627/4885RYR1 1705/4885FKBP1A 1832/4885

“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.