SCHEMBL12538457

SCHEMBL12538457

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)CCCO[N+](=O)[O-])C(=O)CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.61
▸ NR3C2 P08235 7/20 0.61
▸ PGR P06401 6/20 0.61
▸ HIF1A Q16665 5/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ ABCB11 O95342 2/20 0.61
▸ TNF P01375 1/20 0.61
▸ IL6 P05231 1/20 0.61
▸ SERPINA6 P08185 1/20 0.61
▸ AR P10275 1/20 0.61
▸ GLUL P15104 1/20 0.61
▸ ADAM17 P78536 1/20 0.61
▸ GPBAR1 Q8TDU6 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ KMT2A Q03164 1/20 0.60
▸ LMNA P02545 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59

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
SCHEMBL1943891 1.00 NR3C1 (0.61) NR3C1NR3C2PGRHIF1AHSD17B10
SCHEMBL12538318 1.00 NR3C1 (0.61) NR3C1NR3C2PGRHIF1AHSD17B10
SCHEMBL12538479 0.97 NR3C2 (0.60) NR3C1NR3C2PGRHIF1AHSD17B10
SCHEMBL12538409 0.93 NR3C1 (0.68) NR3C1NR3C2PGRHIF1AHSD17B10
SCHEMBL1947201 0.92 PGR (0.64) NR3C1NR3C2PGRHIF1AHSD17B10
SCHEMBL12538459 0.92 PGR (0.64) NR3C1NR3C2PGRHIF1AHSD17B10
SCHEMBL12538411 0.91 NR3C1 (0.65) NR3C1NR3C2PGRHIF1AHSD17B10
SCHEMBL12538396 0.90 NR3C1 (0.64) NR3C1NR3C2PGRHIF1AHSD17B10
Prednival SCHEMBL11585728 0.90 HIF1A (0.73) NR3C1NR3C2PGRHIF1AHSD17B10
SCHEMBL1945621 0.90 NR3C1 (0.67) NR3C1NR3C2PGRHIF1AHSD17B10

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-20110130376-A1 NEW NO RELEASING STEROIDS DERIVATIVES 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-20110130376-A1 NEW NO RELEASING STEROIDS DERIVATIVES CYP11B2, CYP11B1, NR3C2 NR3C1 7/4885NR3C2 3/4885PGR 145/4885

“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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