SCHEMBL22364339

SCHEMBL22364339

C#C[C]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]12CC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.62
▸ PDK1 Q15118 4/20 0.57
▸ PDK2 Q15119 4/20 0.57
▸ PDK3 Q15120 4/20 0.57
▸ PDK4 Q16654 4/20 0.57
▸ SLC6A4 P31645 5/20 0.55
▸ PGR P06401 4/20 0.55
▸ NR3C1 P04150 3/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ AGTR1 P30556 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ LMNA P02545 5/20 0.44
▸ CYP3A4 P08684 4/20 0.44
▸ ABCB11 O95342 3/20 0.44
▸ ESR1 P03372 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 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
SCHEMBL20915137 0.84 PGR (0.59) SLC6A4PGRNR3C1ADORA3SLC6A2
SCHEMBL5173777 0.77 NR1I2 (0.62) NR1I2PDK1PDK2PDK3PDK4
SCHEMBL5173779 0.77 NR1I2 (0.62) NR1I2PDK1PDK2PDK3PDK4
Norelgestromin SCHEMBL4814611 0.76 NR1I2 (1.00) NR1I2PDK1PDK2PDK3PDK4
Norelgestromin SCHEMBL118611 0.76 NR1I2 (1.00) NR1I2PDK1PDK2PDK3PDK4
Norelgestromin SCHEMBL3267125 0.76 NR1I2 (1.00) NR1I2PDK1PDK2PDK3PDK4
Norelgestromin SCHEMBL3163347 0.76 NR1I2 (1.00) NR1I2PDK1PDK2PDK3PDK4
Norelgestromin SCHEMBL4814600 0.76 NR1I2 (1.00) NR1I2PDK1PDK2PDK3PDK4
SCHEMBL13306245 0.76 NR1I2 (0.78) NR1I2PDK1PDK2PDK3PDK4
SCHEMBL28485021 0.74 PDK1 (0.58) NR1I2PDK1PDK2PDK3PDK4

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-10758478-B2 Active agent loaded uniform, rigid, spherical, nanoporous calcium phosphate particles and methods of making and using the same LABORATORY SKIN CARE, INC. (US) 2020-09-01 — — 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-10758478-B2 Active agent loaded uniform, rigid, spherical, nanoporous calcium phosphate particles and methods of making and using the same CHERP, ORAI1, CA2 NR1I2 4250/4885PDK1 2759/4885PDK2 4384/4885

“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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