SCHEMBL12562765

SCHEMBL12562765

COc1cc(/C=C/C(=O)OCCCCON(O)O)ccc1OC(=O)OCC(=O)[C@@]1(OC(=O)CCCON(O)O)[C@H](O)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.49
▸ PGR P06401 4/20 0.49
▸ NR1I2 O75469 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ CYP3A4 P08684 5/20 0.49
▸ USP2 O75604 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ MLNR O43193 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ CYP3A5 P20815 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL13504674 1.00 NR3C1 (0.49) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL12563071 0.98 NR3C1 (0.49) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL12563000 0.96 NR3C1 (0.56) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL13504753 0.96 NR3C1 (0.56) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL12562760 0.94 NR3C1 (0.55) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL13659915 0.94 NR3C1 (0.59) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL12538716 0.92 NR3C1 (0.49) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL12562770 0.91 NR3C1 (0.48) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL13504808 0.91 NR3C1 (0.48) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL12562980 0.90 NR3C1 (0.52) NR3C1PGRNR1I2MAPTADORA3

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-20110130375-A1 NEW NO-RELEASING STEROIDS FOR THE TREATMENT OF RETINA AND MACULA LUTEA DISEASES NICOX S.A. (FR) 2011-06-02 — — 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-20110130375-A1 NEW NO-RELEASING STEROIDS FOR THE TREATMENT OF RETINA AND MACULA LUTEA DISEASES LHCGR, NR5A1, LSS NR3C1 73/4885PGR 124/4885NR1I2 400/4885

“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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