SCHEMBL20212486

SCHEMBL20212486

COc1cc(OC)c([P](=O)C(C)(C)C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERN1 O75460 1/20 0.39
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NQO2 P16083 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL2549044 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP1A2CA1CA2
SCHEMBL20212439 0.79 CA1 (0.42) ALDH1A1CYP3A4CA1CA2CA12
SCHEMBL180252 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP1A2CA1CA2
SCHEMBL25053617 0.73 CA12 (0.52) ALDH1A1CYP3A4CYP1A2CA1CA2
Bromide SCHEMBL20424457 0.73 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP1A2CA1CA2
SCHEMBL31325535 0.73 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP1A2CA1CA2
SCHEMBL2886444 0.71 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CA1CA2
SCHEMBL5358569 0.71 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CA1CA2
SCHEMBL6754210 0.71 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CA1CA2
SCHEMBL2551364 0.71 CA1 (0.36) ALDH1A1CYP3A4CYP1A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-28 US disclosed
EP-3551638-A2 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF Boehringer Ingelheim International GmbH (DE) 2019-10-16 EP disclosed
US-20190144475-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-16 US disclosed
US-10221203-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 US disclosed
WO-2018106746-A2 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-14 WO disclosed
US-20180155375-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-07 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 (4 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-20190144475-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF DCPS, PPIP5K2, PNPO ALDH1A1 2050/4885CYP3A4 1314/4885CYP1A2 2896/4885
US-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 ALDH1A1 2152/4885CYP3A4 1241/4885CYP1A2 2559/4885
US-10221203-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 ALDH1A1 2152/4885CYP3A4 1241/4885CYP1A2 2559/4885
US-20180155375-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF DCPS, PPIP5K2, PNPO ALDH1A1 2050/4885CYP3A4 1314/4885CYP1A2 2896/4885

“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.