SCHEMBL22382702

SCHEMBL22382702

CC[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/O)CC[C@@H]43)[C@@H]1CC[C@]2(C)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.74
▸ SLC6A4 P31645 5/20 0.63
▸ PGR P06401 5/20 0.63
▸ NR3C1 P04150 2/20 0.63
▸ SLC6A2 P23975 2/20 0.63
▸ ADORA3 P0DMS8 1/20 0.63
▸ AGTR1 P30556 1/20 0.63
▸ DRD3 P35462 1/20 0.63
▸ SLC6A3 Q01959 1/20 0.63
▸ PDE4D Q08499 1/20 0.63
▸ PDK1 Q15118 4/20 0.60
▸ PDK2 Q15119 4/20 0.60
▸ PDK3 Q15120 4/20 0.60
▸ PDK4 Q16654 4/20 0.60
▸ LMNA P02545 5/20 0.53
▸ AR P10275 4/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ ESR1 P03372 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ MEN1 O00255 2/20 0.53

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
Norelgestromin SCHEMBL3163347 0.85 NR1I2 (1.00) NR1I2SLC6A4PGRNR3C1SLC6A2
SCHEMBL13306245 0.85 NR1I2 (0.78) NR1I2SLC6A4PGRNR3C1SLC6A2
Norelgestromin SCHEMBL4814611 0.85 NR1I2 (1.00) NR1I2SLC6A4PGRNR3C1SLC6A2
Norelgestromin SCHEMBL118611 0.85 NR1I2 (1.00) NR1I2SLC6A4PGRNR3C1SLC6A2
Norelgestromin SCHEMBL4814600 0.85 NR1I2 (1.00) NR1I2SLC6A4PGRNR3C1SLC6A2
Norelgestromin SCHEMBL3267125 0.85 NR1I2 (1.00) NR1I2SLC6A4PGRNR3C1SLC6A2
SCHEMBL14198630 0.84 NR1I2 (0.80) NR1I2SLC6A4PGRNR3C1SLC6A2
SCHEMBL11861988 0.84 PGR (0.73) SLC6A4PGRNR3C1LMNAAR
SCHEMBL25867708 0.84 PGR (0.73) SLC6A4PGRNR3C1LMNAAR
SCHEMBL25868093 0.84 PGR (0.73) SLC6A4PGRNR3C1LMNAAR

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 4250/4885SLC6A4 2617/4885PGR 2052/4885

“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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