SCHEMBL4906697

SCHEMBL4906697

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.30
DRD1 P21728 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
SCHEMBL4846410 0.81 CYP3A4 (0.33) DRD1
SCHEMBL4842061 0.81 CYP3A4 (0.33) DRD1
SCHEMBL4847219 0.76 CYP3A4 (0.33) DRD1
SCHEMBL14688105 0.75 DRD1 (0.32) DRD1
SCHEMBL15463414 0.73 DRD1 (0.34) DRD1
SCHEMBL19009977 0.73 DRD1 (0.34) DRD1
SCHEMBL18607682 0.70 DRD1 (0.30) DRD1
SCHEMBL1203836 0.68 ITGB2 (0.39) DRD1
SCHEMBL29365010 0.68 ITGB2 (0.39) DRD1
SCHEMBL14688030 0.66 DRD1 (0.41) DRD1

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 9 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
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
EP-1636243-A2 CHIRAL LIGANDS FOR APPLICATION IN ASYMMETRIC SYNTHESES LANXESS Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2004111063-A2 CHIRAL LIGANDS FOR APPLICATION IN ASYMMETRIC SYNTHESES LANXESS DEUTSCHLAND GMBH (DE) 2004-12-23 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-20070004927-A1 Chiral ligands for application in asymmetric syntheses COASY, SPR, DHPS AKR1B1 101/4885DRD1 1536/4885
US-20060161022-A1 Chiral ligands for application in asymmetric syntheses COASY, SPR, DHPS AKR1B1 101/4885DRD1 1536/4885

“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.