SCHEMBL570629

SCHEMBL570629

OCC(O)Cn1n[c]c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
MMP9 P14780 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
BACE1 P56817 2/20 0.36
TDO2 P48775 2/20 0.35
ALDH1A1 P00352 4/20 0.34
HCRTR1 O43613 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL570412 0.76 TDO2 (0.39) TDO2ALDH1A1MAPTKDM4EHPGD
SCHEMBL570746 0.72 SLC9A1 (0.44) ALDH1A1HCRTR1LMNATP53MAPT
SCHEMBL3326163 0.69 GRM2 (0.47) ALDH1A1LMNATDP1KDM4EHPGD
SCHEMBL437789 0.69 ALDH1A1 (0.65) TDO2ALDH1A1HCRTR1LMNATP53
SCHEMBL7141152 0.69 RECQL (0.51) MMP9MAOAMAOBADRA2AADRA2B
SCHEMBL3705991 0.67 GRM2 (0.42) TDO2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL3801864 0.66 SLC9A1 (0.51)
SCHEMBL6953762 0.65 POLB (0.39) LMNAKDM4ENPC1RAB9A
SCHEMBL14578715 0.65 BACE1 (0.81) BACE1ALDH1A1LMNAMAPTKDM4E
SCHEMBL1047732 0.65 GRM2 (0.47) ALDH1A1LMNATP53MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY NOVALIX DEUTSCHLAND GMBH (DE) 2017-06-01 US disclosed
EP-2601208-B1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2015-02-11 EP disclosed
EP-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2013-05-23 US disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 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 (2 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-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCGR3B CDK4 3812/4885CCND1 4561/4885PRKACA 4689/4885
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCER2 CDK4 3294/4885CCND1 2737/4885PRKACA 4791/4885

“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.