SCHEMBL19201625

SCHEMBL19201625

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6cccc(OCCCCCCP(=O)(O)O)c6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 1.00
▸ CYP3A4 P08684 3/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ ABCC3 O15438 1/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ IL5 P05113 1/20 0.49
▸ PGR P06401 1/20 0.49
▸ NR3C2 P08235 1/20 0.49
▸ AR P10275 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL22808554 1.00 NR3C1 (1.00) NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL19201315 0.99 NR3C1 (1.00) NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL19201614 0.94 NR3C1 (1.00) NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL19201615 0.94 NR3C1 (1.00) NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL19201305 0.94 NR3C1 (1.00) NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL19201310 0.93 NR3C1 (0.86) NR3C1CYP3A4HIF1AABCC3ABCC4
SCHEMBL22808555 0.93 NR3C1 (0.86) NR3C1
SCHEMBL20691909 0.92 NR3C1 (0.86) NR3C1
SCHEMBL19201627 0.85 NR3C1 (0.75) NR3C1CYP3A4ABCC3ABCC4ABCB11
SCHEMBL19201302 0.84 NR3C1 (0.73) NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3407916-B1 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-12-20 — — EP disclosed
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds MERCK SHARP & DOHME CORP. (US) 2020-12-22 — — US disclosed
US-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-01-31 — — US disclosed
WO-2017132103-A2 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-08-03 — — WO 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-20190030171-A1 PHOSPONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS PHOSPHO1, PHPT1, PSPH NR3C1 4471/4885CYP3A4 4588/4885HIF1A 3538/4885
US-10869929-B2 Phosphonate linkers and their use to facilitate cellular retention of compounds PHOSPHO1, TK1, MSN NR3C1 4614/4885CYP3A4 4441/4885HIF1A 3764/4885

“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.

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