SCHEMBL4846388

SCHEMBL4846388

O=P(c1ccccc1)(c1ccccc1)c1ccc(Cl)c2c1-c1c(P(=O)(c3ccccc3)c3ccccc3)ccc(Cl)c1OC/C=C\CO2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
MAPT P10636 3/20 0.31
POLB P06746 2/20 0.31
NPSR1 Q6W5P4 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL4847287 0.85 SMN1; SMN2 (0.33) KDM4EMAPTPOLBNPSR1ALDH1A1
SCHEMBL4846541 0.85 SMN1; SMN2 (0.35) KDM4EMAPTPOLBNPSR1ALDH1A1
SCHEMBL4847587 0.77 AKR1B1 (0.32)
SCHEMBL4901945 0.77 AKR1B1 (0.32)
SCHEMBL7712031 0.71 NPSR1 (0.38) KDM4EMAPTPOLBNPSR1ALDH1A1
SCHEMBL2209439 0.71 NPSR1 (0.45) KDM4EMAPTPOLBNPSR1ALDH1A1
SCHEMBL7592861 0.71 NPC1 (0.37) MAPTPOLBNPSR1ALDH1A1HTT
SCHEMBL6320203 0.71 RAB9A (0.37) KDM4EMAPTPOLBNPSR1ALDH1A1
SCHEMBL2211499 0.68 ALDH1A1 (0.41) KDM4EMAPTPOLBNPSR1ALDH1A1
SCHEMBL28344959 0.66 NPSR1 (0.44) KDM4EMAPTPOLBNPSR1ALDH1A1

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 KDM4E 4280/4885MAPT 3707/4885POLB 1046/4885
US-20060161022-A1 Chiral ligands for application in asymmetric syntheses COASY, SPR, DHPS KDM4E 4280/4885MAPT 3707/4885POLB 1046/4885

“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.