SCHEMBL4613095

SCHEMBL4613095

COc1cc2c(Br)cc1CCc1ccc(cc1Br)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
HTR2C P28335 4/20 0.44
HTR2B P41595 4/20 0.44
MAPT P10636 4/20 0.35
CYP3A4 P08684 2/20 0.35
NR1H2 P55055 6/20 0.35
NR1H3 Q13133 6/20 0.35
CYP19A1 P11511 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOA P21397 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2261151 0.91 HTR2A (0.47) HTR2AHTR2CHTR2BMAPTCYP3A4
SCHEMBL18840447 0.86 HTR2C (0.55) HTR2AHTR2CHTR2BMAPTCYP3A4
SCHEMBL4612611 0.80 TDP1 (0.31)
SCHEMBL4612593 0.80
SCHEMBL18840444 0.78 NR1H2 (0.43) MAPTCYP3A4NR1H2NR1H3KDM4E
SCHEMBL2262585 0.78 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL12892693 0.77 NR1H2 (0.41) HTR2AHTR2CHTR2BNR1H2NR1H3
SCHEMBL19912596 0.77
SCHEMBL12390316 0.76 NR1H2 (0.46) HTR2AHTR2CHTR2BMAPTCYP3A4
SCHEMBL4612437 0.74 KDM1A (0.33) NR1H2NR1H3

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 HTR2A 3056/4885HTR2C 1421/4885HTR2B 2646/4885

“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.