SCHEMBL19986503

SCHEMBL19986503

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C(=O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 13/20 0.75
ADORA3 P0DMS8 3/20 0.73
SLC6A2 P23975 3/20 0.73
NR1I2 O75469 2/20 0.73
PGR P06401 2/20 0.73
SLC6A4 P31645 2/20 0.73
ADRA1A P35348 2/20 0.73
PTGS2 P35354 2/20 0.73
HTR1A P08908 1/20 0.73
CYP24A1 Q07973 2/20 0.65
AGTR1 P30556 2/20 0.65
MAPT P10636 2/20 0.62
ABCB11 O95342 1/20 0.62
GC P02774 1/20 0.62
RXRA P19793 1/20 0.62
CHRM3 P20309 1/20 0.62
CNR1 P21554 1/20 0.62
HTR2C P28335 1/20 0.62
MAPK1 P28482 1/20 0.62
OPRD1 P41143 1/20 0.62

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
SCHEMBL6045305 1.00 VDR (0.75) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL11038219 0.89 VDR (0.79) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL12798585 0.88 VDR (0.81) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL12798567 0.88 VDR (0.81) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7155148 0.88 VDR (0.73) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL14510794 0.88 ALDH1A1 (0.74) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL14490722 0.87 VDR (0.86) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL13870052 0.87 VDR (0.86) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL14117370 0.87 VDR (0.86) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7717819 0.87 VDR (0.75) VDRADORA3SLC6A2NR1I2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404909-A1 MICRONEEDLE PATCH FOR DELIVERING AN ACTIVE INGREDIENT TO SKIN LEO PHARMA AS (DK) 2023-12-21 US disclosed
US-20180078498-A1 Microneedle Patch for Delivering an Active Ingredient to Skin LEO PHARMA A/S (DK) 2018-03-22 US disclosed
US-20180078498-A1 Microneedle Patch for Delivering an Active Ingredient to Skin LEO PHARMA A/S (DK) 2018-03-22 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 (2 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-20230404909-A1 MICRONEEDLE PATCH FOR DELIVERING AN ACTIVE INGREDIENT TO SKIN MMP1, MMP17, CUTA VDR 2363/4885ADORA3 3640/4885SLC6A2 2192/4885
US-20180078498-A1 Microneedle Patch for Delivering an Active Ingredient to Skin MMP1, MMP17, CUTA VDR 2363/4885ADORA3 3640/4885SLC6A2 2192/4885

“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.