SCHEMBL4842166

SCHEMBL4842166

C=CCOc1c(Cl)ccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc(Cl)c1OCC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 3/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
LIG1 P18858 1/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
TLR4 O00206 1/20 0.33
ALOX15 P16050 1/20 0.32
PTPRC P08575 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL4846499 0.78 MEN1 (0.42) PKMSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL2211499 0.77 ALDH1A1 (0.41) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL2210519 0.75 POLB (0.43) SMN1; SMN2ALDH1A1POLBHTTMEN1
SCHEMBL2208021 0.74 KMT2A (0.44) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL2209056 0.71 POLB (0.39) SMN1; SMN2ALDH1A1POLBHTTMEN1
SCHEMBL2205619 0.69 KMT2A (0.41) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL10648647 0.69 KMT2A (0.47) CXCR5ALDH1A1HTTMEN1KMT2A
SCHEMBL27225528 0.69 ALDH1A1 (0.43) PKMSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL2209439 0.68 NPSR1 (0.45) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL7712031 0.68 NPSR1 (0.38) ALDH1A1POLBHTTMEN1KMT2A

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 CXCR5 621/4885PKM 2355/4885SMN1; SMN2 4626/4885
US-20060161022-A1 Chiral ligands for application in asymmetric syntheses COASY, SPR, DHPS CXCR5 621/4885PKM 2355/4885SMN1; 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.