SCHEMBL4390310

SCHEMBL4390310

COc1ccc2ccc(O)c(C3NCCc4ccccc43)c2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.56
MAOA P21397 1/20 0.53
KDM1A O60341 3/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
PRCP P42785 2/20 0.42
HTR2C P28335 2/20 0.42
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.40
CETP P11597 1/20 0.40

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
SCHEMBL4396321 0.92 GID4 (0.55) GID4MAOAKDM1ACA1CA2
SCHEMBL11948846 0.87 GID4 (0.57) GID4MAOAKDM1ACA1CA2
SCHEMBL11948862 0.84 PRCP (0.47) MAOAKDM1ADRD1PRCPHTR2C
SCHEMBL4120535 0.82 PRCP (0.50) GID4KDM1APRCPRECQLGAA
SCHEMBL11948845 0.79 GID4 (0.56) GID4MAOAKDM1ACA1CA2
SCHEMBL4391473 0.76 KDM1A (0.45) MAOAKDM1ADRD1PRCPHTR2C
SCHEMBL11948841 0.75 PRCP (0.47) GID4MAOAOPRM1OPRK1PRCP
SCHEMBL11948856 0.73 PRCP (0.51) GID4MAOAKDM1ADRD1PRCP
SCHEMBL4388623 0.73 MAOA (0.48) GID4MAOAOPRM1PRCPRECQL
SCHEMBL22728762 0.73 GID4 (1.00) GID4MAOAKDM1ACA1CA2

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-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-12-10 US disclosed
WO-2007098608-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASSYMETRIC REACTIONS LI CHAO-JUN (CA) 2007-09-07 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-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OR10J3, C1R, C3AR1 GID4 2774/4885MAOA 3850/4885KDM1A 4394/4885

“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.