SCHEMBL4397745

SCHEMBL4397745

O=C(c1ccccc1)c1ccc2c(C3NCCc4ccccc43)c(O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
OPRM1 P35372 3/20 0.41
MAPT P10636 3/20 0.40
KDM1A O60341 5/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
OPRK1 P41145 1/20 0.36

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
SCHEMBL11948843 0.88 OPRM1 (0.44) PRCPTSHRNPSR1MEN1KMT2A
SCHEMBL4391473 0.81 KDM1A (0.45) PRCPMEN1KMT2AGAAMAPT
SCHEMBL4120535 0.80 PRCP (0.50) PRCPTSHRNPSR1MEN1KMT2A
SCHEMBL4396321 0.78 GID4 (0.55) PRCPGAAOPRM1KDM1AOPRK1
SCHEMBL11948862 0.77 PRCP (0.47) PRCPGAAMAPTKDM1A
SCHEMBL4390310 0.72 GID4 (0.56) PRCPGAAOPRM1KDM1AOPRK1
SCHEMBL11948856 0.71 PRCP (0.51) PRCPTSHRNPSR1MEN1KMT2A
SCHEMBL11948842 0.70 MAPT (0.42) PRCPTSHRNPSR1MEN1KMT2A
SCHEMBL4391481 0.69 PRCP (0.46) PRCPTSHRNPSR1MEN1KMT2A
SCHEMBL11948857 0.69 PRCP (0.55) PRCPGAAOPRM1ALDH1A1HSD17B10

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 PRCP 2207/4885TSHR 166/4885NPSR1 46/4885

“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.