SCHEMBL4846499

SCHEMBL4846499

O=P(c1ccccc1)(c1ccccc1)c1ccc(Cl)c(OCCCBr)c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc(Cl)c1OCCCBr

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
PLAU P00749 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCHR1 Q99705 1/20 0.31
GLO1 Q04760 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 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
SCHEMBL4842166 0.78 CXCR5 (0.41) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL2211499 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL2210519 0.75 POLB (0.43) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL2208021 0.74 KMT2A (0.44) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL2209056 0.71 POLB (0.39) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL2205619 0.69 KMT2A (0.41) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL6654038 0.69 KMT2A (0.47) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL2209439 0.68 NPSR1 (0.45) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL7712031 0.68 NPSR1 (0.38) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL2210116 0.68 KMT2A (0.43) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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 MEN1 1809/4885KMT2A 3704/4885ALDH1A1 348/4885
US-20060161022-A1 Chiral ligands for application in asymmetric syntheses COASY, SPR, DHPS MEN1 1809/4885KMT2A 3704/4885ALDH1A1 348/4885

“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.