SCHEMBL12562915

SCHEMBL12562915

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ NR3C2 P08235 8/20 0.62
▸ NR3C1 P04150 7/20 0.62
▸ PGR P06401 6/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ ABCB11 O95342 2/20 0.62
▸ TNF P01375 1/20 0.62
▸ IL6 P05231 1/20 0.62
▸ SERPINA6 P08185 1/20 0.62
▸ AR P10275 1/20 0.62
▸ GLUL P15104 1/20 0.62
▸ ADAM17 P78536 1/20 0.62
▸ GPBAR1 Q8TDU6 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ LMNA P02545 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60

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
SCHEMBL12562909 1.00 HIF1A (0.63) HIF1AKMT2ANR3C2NR3C1PGR
SCHEMBL12563095 0.97 NR3C2 (0.63) HIF1AKMT2ANR3C2NR3C1PGR
SCHEMBL12562939 0.93 PGR (0.68) HIF1AKMT2ANR3C2NR3C1PGR
Prednival SCHEMBL25388 0.91 HIF1A (0.73) HIF1AKMT2ANR3C2NR3C1PGR
SCHEMBL1945621 0.91 NR3C1 (0.67) HIF1AKMT2ANR3C2NR3C1PGR
SCHEMBL1945625 0.91 NR3C1 (0.67) HIF1AKMT2ANR3C2NR3C1PGR
Prednival SCHEMBL25387 0.91 HIF1A (0.73) HIF1AKMT2ANR3C2NR3C1PGR
Prednival SCHEMBL11585728 0.91 HIF1A (0.73) HIF1AKMT2ANR3C2NR3C1PGR
Prednival SCHEMBL2966209 0.91 HIF1A (0.73) HIF1AKMT2ANR3C2NR3C1PGR
Prednival SCHEMBL2966212 0.91 HIF1A (0.73) HIF1AKMT2ANR3C2NR3C1PGR

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 HIF1A 1676/4885KMT2A 4802/4885NR3C2 3/4885

“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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