SCHEMBL5565702

SCHEMBL5565702

CCc1cc(CCCc2ccc(CO)c(CO)c2)ccc1OCC(O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.34
VDR P11473 1/20 0.34
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
APAF1 O14727 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKT1 P31749 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRB2 P07550 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL5564788 0.87 VDR (0.45) VDR
SCHEMBL5570265 0.86 FFAR4 (0.35) VDRHTTMAPTMAPK1APAF1
SCHEMBL5569585 0.85 VDR (0.38) VDR
SCHEMBL5569602 0.84 VDR (0.39) VDR
SCHEMBL5569478 0.83 FFAR4 (0.39) ALDH1A1HIF1AVDRAKT1
SCHEMBL5570234 0.82 TSHR (0.31) ALDH1A1
SCHEMBL5565401 0.81 S1PR1 (0.32) ALDH1A1HTTMAPT
SCHEMBL5570212 0.80 TYR (0.34) VDRALOX15
SCHEMBL5565041 0.79 PTGDR2 (0.51) MAPTL3MBTL1
SCHEMBL5564687 0.77 VDR (0.41) VDRHTTMAPTMAPK1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US claimed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US claimed
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US disclosed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR ALDH1A1 121/4885HIF1A 1495/4885VDR 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.