SCHEMBL21111754

SCHEMBL21111754

BO[P@](c1ccccc1)c1ccccc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 5/20 0.42
GLA P06280 1/20 0.42
PTPRC P08575 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
LTA4H P09960 1/20 0.35
GAA P10253 1/20 0.35
HCRTR1 O43613 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL21111817 0.80 CA1 (0.44) ALDH1A1L3MBTL1PTPRCPOLBATM
SCHEMBL1833246 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1GLAPTPRCPOLB
SCHEMBL30707397 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1GLAPTPRCPOLB
SCHEMBL9181053 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1GLAPTPRCPOLB
SCHEMBL21111827 0.79 GABRA1 (0.33) L3MBTL1MAPTNPSR1TDP1
SCHEMBL21111783 0.79 LTA4H (0.55) ALDH1A1L3MBTL1POLBMAPTNPSR1
SCHEMBL31413828 0.78 ALDH1A1 (0.48) ALDH1A1L3MBTL1GLAMAPTNPSR1
SCHEMBL10382309 0.77 ALDH1A1 (0.44) ALDH1A1L3MBTL1GLAPTPRCPOLB
SCHEMBL2154467 0.77 L3MBTL1 (0.47) ALDH1A1L3MBTL1GLAPTPRCPOLB
SCHEMBL2153580 0.77 ALDH1A1 (0.44) ALDH1A1L3MBTL1GLAPTPRCPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919921-B2 P-chiral phosphine ligands and use thereof for asymmetric synthesis BASF SE 2021-02-16 US disclosed
US-20190211040-A1 P-CHIRAL PHOSPHINE LIGANDS AND USE THEREOF FOR ASYMMETRIC SYNTHESIS BASF SE (DE) 2019-07-11 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-20190211040-A1 P-CHIRAL PHOSPHINE LIGANDS AND USE THEREOF FOR ASYMMETRIC SYNTHESIS PLCD1, PLCB3, PHOSPHO1 ALDH1A1 892/4885L3MBTL1 4753/4885GLA 2301/4885
US-10919921-B2 P-chiral phosphine ligands and use thereof for asymmetric synthesis PLCD1, PLCB3, PHOSPHO1 ALDH1A1 892/4885L3MBTL1 4753/4885GLA 2301/4885

“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.