SCHEMBL4388627

SCHEMBL4388627

CN1CCc2ccccc2C1c1c(O)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.54
KDM4E B2RXH2 1/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD1 P21728 5/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 1/20 0.40
DRD5 P21918 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
SCHEMBL11948854 0.85 PRCP (0.55) PRCPHDAC3HDAC1HDAC2HDAC8
SCHEMBL4399615 0.84 HDAC3 (0.51) PRCPKDM4EHDAC3HDAC1HDAC2
SCHEMBL4402003 0.84 PRCP (0.56) PRCPKDM4EHDAC3HDAC1HDAC2
SCHEMBL11948852 0.83 MTNR1B (0.46) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL4391667 0.82 PRCP (0.51) PRCPHDAC3HDAC1HDAC2HDAC8
SCHEMBL4396690 0.80 PRCP (0.49) PRCPHDAC3HDAC1HDAC2HDAC8
SCHEMBL4391630 0.79 HDAC8 (0.46) PRCPKDM4EHDAC3HDAC1HDAC2
SCHEMBL11956302 0.79 PRCP (0.51) PRCPHDAC3HDAC1HDAC2HDAC8
SCHEMBL4544071 0.79 PRCP (0.51) PRCPHDAC3HDAC1HDAC2HDAC8
SCHEMBL4390219 0.74 DRD2 (0.48) PRCPHDAC3HDAC1HDAC2HDAC8

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-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
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 PRCP 2207/4885KDM4E 4585/4885HDAC3 1862/4885

“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.