SCHEMBL21111795

SCHEMBL21111795

COc1ccc([P@](c2ccccc2)c2cc(C(C)(C)C)cc3c2Oc2c([P@@](c4ccccc4)c4ccc(OC)cc4)cc(C(C)(C)C)cc2C3(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.51
TOP1 P11387 1/20 0.32
STING1 Q86WV6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
LTA4H P09960 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA4 P22748 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
SCHEMBL29501639 1.00 DRD1 (0.51) DRD1TOP1STING1ALDH1A1HPGD
SCHEMBL21111890 0.92 DRD1 (0.50) DRD1
SCHEMBL708320 0.90 DRD1 (0.61) DRD1
SCHEMBL31758911 0.89 DRD1 (0.49) DRD1ALDH1A1HPGDLTA4HMAPT
SCHEMBL29501652 0.86 DRD1 (0.55) DRD1
SCHEMBL21111854 0.86 DRD1 (0.55) DRD1
SCHEMBL29501658 0.86 DRD1 (0.55) DRD1
SCHEMBL668454 0.86 ALDH1A1 (0.39) DRD1ALDH1A1HPGDMAPT
SCHEMBL21111784 0.86 DRD1 (0.51) DRD1
SCHEMBL29501684 0.86 DRD1 (0.51) DRD1

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 DRD1 2508/4885TOP1 3233/4885STING1 2763/4885
US-10919921-B2 P-chiral phosphine ligands and use thereof for asymmetric synthesis PLCD1, PLCB3, PHOSPHO1 DRD1 2508/4885TOP1 3233/4885STING1 2763/4885

“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.