SCHEMBL4847587

SCHEMBL4847587

C[C@H]1CCOc2c(Cl)ccc(P(=O)(c3ccccc3)c3ccccc3)c2-c2c(P(=O)(c3ccccc3)c3ccccc3)ccc(Cl)c2O1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.32
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4901945 1.00 AKR1B1 (0.32) AKR1B1GAASMN1; SMN2
SCHEMBL4847287 0.82 SMN1; SMN2 (0.33) GAASMN1; SMN2
SCHEMBL4846541 0.82 SMN1; SMN2 (0.35) GAASMN1; SMN2
SCHEMBL4846388 0.77 KDM4E (0.31)
SCHEMBL4906697 0.73 AKR1B1 (0.30) AKR1B1
SCHEMBL6320203 0.69 RAB9A (0.37) GAASMN1; SMN2
SCHEMBL7712031 0.67 NPSR1 (0.38)
SCHEMBL13681624 0.67 GRM5 (0.38)
SCHEMBL2209439 0.64 NPSR1 (0.45)
SCHEMBL2211499 0.64 ALDH1A1 (0.41) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636243-B1 CHIRAL LIGANDS FOR APPLICATION IN ASYMMETRIC SYNTHESES BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP claimed
US-7396947-B2 Chiral ligands for application in asymmetric syntheses LANXESS DEUTSCHLAND GMBH (DE) 2008-07-08 US claimed
US-20070004927-A1 Chiral ligands for application in asymmetric syntheses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 US claimed
US-20060161022-A1 Chiral ligands for application in asymmetric syntheses LANXESS DEUTSCHLAND GMBH (DE) 2006-07-20 US claimed
EP-1636243-B1 CHIRAL LIGANDS FOR APPLICATION IN ASYMMETRIC SYNTHESES BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP disclosed
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 AKR1B1 101/4885GAA 904/4885SMN1; SMN2 4626/4885
US-20060161022-A1 Chiral ligands for application in asymmetric syntheses COASY, SPR, DHPS AKR1B1 101/4885GAA 904/4885SMN1; SMN2 4626/4885

“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.