SCHEMBL12562939

SCHEMBL12562939

C[C@]12C=CC(=O)C=C1CCC1C3CC[C@](OC(=O)CCCON(O)O)(C(=O)COC(=O)CCCON(O)O)[C@@]3(C)C[C@H](O)[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.68
▸ NR3C1 P04150 7/20 0.68
▸ HIF1A Q16665 6/20 0.68
▸ LMNA P02545 2/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ USP2 O75604 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ ABCB11 O95342 2/20 0.56
▸ ABCC3 O15438 1/20 0.56
▸ NR1I2 O75469 1/20 0.56
▸ NR3C2 P08235 5/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ AR P10275 2/20 0.54
▸ TNF P01375 1/20 0.54
▸ IL6 P05231 1/20 0.54
▸ SERPINA6 P08185 1/20 0.54
▸ GLUL P15104 1/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ GPBAR1 Q8TDU6 1/20 0.54

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
SCHEMBL12562918 0.98 PGR (0.66) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562913 0.97 PGR (0.67) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562912 0.95 PGR (0.64) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562940 0.94 NR3C1 (0.64) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL13493163 0.94 NR3C1 (0.64) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562926 0.94 PGR (0.65) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562936 0.94 PGR (0.61) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL13659805 0.94 PGR (0.79) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562930 0.93 NR3C1 (0.62) PGRNR3C1HIF1ALMNACYP3A4
SCHEMBL12562915 0.93 HIF1A (0.63) PGRNR3C1HIF1ALMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130376-A1 NEW NO RELEASING STEROIDS DERIVATIVES NICOX S.A. (FR) 2011-06-02 — — US disclosed
WO-2010015529-A1 NEW NO RELEASING STEROIDS DERIVATIVES NICOX S.A. (FR) 2010-02-11 — — 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 (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-20110130376-A1 NEW NO RELEASING STEROIDS DERIVATIVES CYP11B2, CYP11B1, NR3C2 PGR 145/4885NR3C1 7/4885HIF1A 1676/4885

“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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