SCHEMBL4120535

SCHEMBL4120535

Oc1ccc2ccccc2c1C1NCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.50
GAA P10253 2/20 0.49
MAPT P10636 5/20 0.46
KDM1A O60341 2/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GID4 Q8IVV7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL11948862 0.88 PRCP (0.47) PRCPGAAMAPTKDM1ARECQL
SCHEMBL4391473 0.84 KDM1A (0.45) PRCPGAAMAPTKDM1ARECQL
SCHEMBL6986104 0.83 PRCP (0.52) PRCPGAAMAPTRECQLMEN1
SCHEMBL4390310 0.82 GID4 (0.56) PRCPGAAKDM1ARECQLGID4
SCHEMBL4396321 0.81 GID4 (0.55) PRCPGAAKDM1ARECQLGID4
SCHEMBL4399590 0.81 GAA (0.54) PRCPGAAMAPTKDM1ARECQL
SCHEMBL11948856 0.81 PRCP (0.51) PRCPGAAMAPTKDM1ARECQL
SCHEMBL4397745 0.80 PRCP (0.42) PRCPGAAMAPTKDM1AMEN1
SCHEMBL4391481 0.79 PRCP (0.46) PRCPGAAMAPTKDM1ARECQL
SCHEMBL2676256 0.79 PRCP (0.59) PRCPGAAMAPTKDM1ARECQL

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 11 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-8183378-B2 Ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-05-22 US disclosed
US-8183378-B2 Ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-05-22 US disclosed
US-8183378-B2 Ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-05-22 US disclosed
US-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-12-10 US disclosed
US-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-10-01 US disclosed
US-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-10-01 US disclosed
US-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-10-01 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 (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-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OR10J3, C1R, C3AR1 PRCP 2207/4885GAA 4878/4885MAPT 4861/4885
US-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OGFR, OR10J3, OPRL1 PRCP 3913/4885GAA 4883/4885MAPT 4854/4885

“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.