SCHEMBL21111873

SCHEMBL21111873

BO[P@](c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HPGD P15428 2/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
AKR1C3 P42330 1/20 0.34
HTT P42858 2/20 0.33

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
SCHEMBL18379557 0.86 ACHE (0.43) ACHELMNATSHRALOX12HPGD
SCHEMBL28540865 0.85 CYP3A4 (0.47) TSHRTDP1CYP3A4ESR1ESR2
SCHEMBL21111849 0.83 ACHE (0.44) ACHELMNATSHRALOX12HPGD
SCHEMBL21111833 0.78 CA4 (0.52) ACHELMNANPC1RAB9ATDP1
SCHEMBL21111845 0.77 TSHR (0.35) ACHETSHRTDP1CYP3A4
SCHEMBL11078704 0.76 LMNA (0.42) ACHELMNATSHRALOX12HPGD
SCHEMBL12889884 0.75 TDP1 (0.67) ACHELMNATSHRALOX12HPGD
SCHEMBL49480 0.75 TDP1 (0.67) ACHELMNATSHRALOX12HPGD
SCHEMBL49680 0.75 TDP1 (0.67) ACHELMNATSHRALOX12HPGD
SCHEMBL7661200 0.75 TDP1 (0.67) ACHELMNATSHRALOX12HPGD

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 ACHE 64/4885LMNA 1544/4885TSHR 3959/4885
US-10919921-B2 P-chiral phosphine ligands and use thereof for asymmetric synthesis PLCD1, PLCB3, PHOSPHO1 ACHE 64/4885LMNA 1544/4885TSHR 3959/4885

“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.