SCHEMBL3403600

SCHEMBL3403600

C[C@]12C/C(=C/O)C(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)O)[C@@]3(C)C[C@H](O)[C@@]12F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.57
▸ SERPINA6 P08185 1/20 0.55
▸ PGR P06401 4/20 0.53
▸ AR P10275 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ HIF1A Q16665 4/20 0.53
▸ HRH1 P35367 1/20 0.53
▸ FNTA P49354 1/20 0.51
▸ FNTB P49356 1/20 0.51
▸ LMNA P02545 3/20 0.47
▸ CYP3A4 P08684 5/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SHBG P04278 1/20 0.43
▸ NR1I2 O75469 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ USP2 O75604 1/20 0.39

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
SCHEMBL3403608 1.00 NR3C1 (0.57) NR3C1SERPINA6PGRARHSD17B10
SCHEMBL13102567 0.92 NR3C1 (0.56) NR3C1SERPINA6PGRARHSD17B10
SCHEMBL3405195 0.84 NR3C1 (0.62) NR3C1PGRARHSD17B10HIF1A
SCHEMBL3405200 0.84 NR3C1 (0.62) NR3C1PGRARHSD17B10HIF1A
SCHEMBL7616035 0.82 NR3C1 (0.80) NR3C1SERPINA6PGRARHSD17B10
SCHEMBL3406859 0.82 NR3C1 (0.80) NR3C1SERPINA6PGRARHSD17B10
SCHEMBL13102597 0.79 NR3C1 (0.52) NR3C1PGRARHSD17B10HIF1A
SCHEMBL11814068 0.77 NR3C1 (0.77) NR3C1SERPINA6PGRARHSD17B10
SCHEMBL11814061 0.77 NR3C1 (0.77) NR3C1SERPINA6PGRARHSD17B10
SCHEMBL2705971 0.76 HIF1A (0.74) NR3C1PGRARHSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237507-A1 Novel Amide Compounds ASTRAZENECA AB INTELLECTUAL PROPERTY (GB) 2013-09-12 — — US disclosed
US-20130237507-A1 Novel Amide Compounds ASTRAZENECA AB INTELLECTUAL PROPERTY (GB) 2013-09-12 — — US disclosed
US-20130237507-A1 Novel Amide Compounds ASTRAZENECA AB INTELLECTUAL PROPERTY (GB) 2013-09-12 — — US disclosed
US-8338587-B2 Compounds ASTRAZENECA AB 2012-12-25 — — US disclosed
US-8338587-B2 Compounds ASTRAZENECA AB 2012-12-25 — — US disclosed
US-8338587-B2 Compounds ASTRAZENECA AB 2012-12-25 — — US disclosed
US-20100256103-A1 NOVEL COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
US-20100256103-A1 NOVEL COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
US-20100256103-A1 NOVEL COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — 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 (3 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-20100256103-A1 NOVEL COMPOUNDS SLC10A1, ABCB1, UGT1A1 NR3C1 858/4885SERPINA6 487/4885PGR 681/4885
US-20100256104-A1 NOVEL AMIDE COMPOUNDS H1-4, H1-3, H1-5 NR3C1 2060/4885SERPINA6 3324/4885PGR 454/4885
US-20130237507-A1 Novel Amide Compounds H1-4, H1-3, H1-5 NR3C1 1912/4885SERPINA6 3458/4885PGR 452/4885

“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.

Send feedback