SCHEMBL20212468

SCHEMBL20212468

COc1cccc(OC)c1P(=O)(CO)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.38
CTSD P07339 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL17833937 0.83 TSHR (0.36) TSHRCA12CA1CA2CA7
SCHEMBL12667898 0.83 TSHR (0.36) TSHRCA12CA1CA2CA7
SCHEMBL20212402 0.81 TSHR (0.42) TSHRCA1CA2SMN1; SMN2LMNA
SCHEMBL12667894 0.76 CA1 (0.42) TSHRCA12CA1CA2CA7
SCHEMBL15715691 0.76 CA1 (0.42) TSHRCA12CA1CA2CA7
SCHEMBL9001590 0.71 CA1 (0.50) TSHRCA12CA1CA2CA7
SCHEMBL15711811 0.70 CYP3A4 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11797004 0.70 CA1 (0.47) TSHRCA12CA1CA2CA7
Perchlorate SCHEMBL10613839 0.69 CA1 (0.42) TSHRCA12CA1CA2CA7
SCHEMBL15711789 0.69 L3MBTL1 (0.42) CA12CA1CA2CA7CA9

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 12 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
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-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
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
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
US-20180155375-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-07 US 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 TSHR 4740/4885CA12 1454/4885CA1 1567/4885
US-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 TSHR 4685/4885CA12 1103/4885CA1 1183/4885
US-10221203-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 TSHR 4685/4885CA12 1103/4885CA1 1183/4885
US-20180155375-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF DCPS, PPIP5K2, PNPO TSHR 4740/4885CA12 1454/4885CA1 1567/4885

“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.