SCHEMBL21111845

SCHEMBL21111845

BO[P@](c1ccccc1)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28540865 0.80 CYP3A4 (0.47) TSHRCYP3A4TDP1
SCHEMBL21111817 0.78 CA1 (0.44) TSHRTDP1
SCHEMBL14605205 0.78 TSHR (0.33) TSHRACHECYP3A4TDP1
SCHEMBL21111827 0.77 GABRA1 (0.33) CYP3A4TDP1
SCHEMBL21111873 0.77 ACHE (0.43) TSHRACHECYP3A4TDP1
SCHEMBL11056512 0.76 TSHR (0.43) TSHRACHECYP3A4TDP1
SCHEMBL21111876 0.76 GABRA1 (0.35) TSHRCYP3A4
SCHEMBL21111867 0.74 IRAK4 (0.38) ACHETDP1
SCHEMBL21111754 0.74 ALDH1A1 (0.43) TDP1
SCHEMBL21111849 0.73 ACHE (0.44) TSHRACHECYP3A4TDP1

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 TSHR 3959/4885ACHE 64/4885CYP3A4 965/4885
US-10919921-B2 P-chiral phosphine ligands and use thereof for asymmetric synthesis PLCD1, PLCB3, PHOSPHO1 TSHR 3959/4885ACHE 64/4885CYP3A4 965/4885

“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.