SCHEMBL12586458

SCHEMBL12586458

COc1cc(C(=O)OCCOCCOCCON(O)O)ccc1OC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.58
▸ LMNA P02545 5/20 0.58
▸ CYP3A4 P08684 5/20 0.58
▸ NR3C1 P04150 3/20 0.58
▸ PGR P06401 3/20 0.58
▸ NR1I2 O75469 1/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CNR1 P21554 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.49
▸ AR P10275 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TNF P01375 2/20 0.48
▸ IKBKB O14920 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ PRKCA P17252 1/20 0.47

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
SCHEMBL12586124 0.95 HIF1A (0.58) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13659974 0.95 HIF1A (0.58) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL1974123 0.92 LMNA (0.56) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13659906 0.91 HIF1A (0.58) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL12586259 0.90 NR3C1 (0.63) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL12586271 0.89 HIF1A (0.55) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL15214220 0.89 HIF1A (0.60) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13659904 0.88 HIF1A (0.70) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL1977212 0.88 LMNA (0.57) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13655924 0.88 LMNA (0.57) HIF1ALMNACYP3A4NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144073-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NICOX S.A. 2011-06-16 — — 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 (1 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-20110144073-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NR3C1, NR3C2, CYP11B1 HIF1A 2532/4885LMNA 779/4885CYP3A4 1045/4885

“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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