SCHEMBL4847287

SCHEMBL4847287

O=P(c1ccccc1)(c1ccccc1)c1ccc(Cl)c2c1-c1c(P(=O)(c3ccccc3)c3ccccc3)ccc(Cl)c1OCCCCO2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 4/20 0.31
MAPT P10636 4/20 0.31
POLB P06746 2/20 0.31
NPSR1 Q6W5P4 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4846541 0.97 SMN1; SMN2 (0.35) SMN1; SMN2GAANPC1RAB9AKDM4E
SCHEMBL4846388 0.85 KDM4E (0.31) KDM4EMAPTPOLBNPSR1ALDH1A1
SCHEMBL4901945 0.82 AKR1B1 (0.32) SMN1; SMN2GAA
SCHEMBL4847587 0.82 AKR1B1 (0.32) SMN1; SMN2GAA
SCHEMBL6320203 0.77 RAB9A (0.37) SMN1; SMN2GAANPC1RAB9AKDM4E
SCHEMBL13681624 0.71 GRM5 (0.38) KDM4EMAPTPOLBNPSR1ALDH1A1
SCHEMBL7712031 0.71 NPSR1 (0.38) KDM4EMAPTPOLBNPSR1ALDH1A1
SCHEMBL2209439 0.71 NPSR1 (0.45) NPC1RAB9AKDM4EMAPTPOLB
SCHEMBL7592861 0.71 NPC1 (0.37) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL7164438 0.71 NPSR1 (0.39) SMN1; SMN2GAANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396947-B2 Chiral ligands for application in asymmetric syntheses LANXESS DEUTSCHLAND GMBH (DE) 2008-07-08 US disclosed
US-20070004927-A1 Chiral ligands for application in asymmetric syntheses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 US disclosed
US-20060161022-A1 Chiral ligands for application in asymmetric syntheses LANXESS DEUTSCHLAND GMBH (DE) 2006-07-20 US 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-20070004927-A1 Chiral ligands for application in asymmetric syntheses COASY, SPR, DHPS SMN1; SMN2 4626/4885GAA 904/4885NPC1 2599/4885
US-20060161022-A1 Chiral ligands for application in asymmetric syntheses COASY, SPR, DHPS SMN1; SMN2 4626/4885GAA 904/4885NPC1 2599/4885

“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.