SCHEMBL5569718

SCHEMBL5569718

CCc1cc(C2(CCc3ccc(CO)c(CO)c3)CCCCC2)ccc1OCC(O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.37
HDAC3 O15379 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
AR P10275 9/20 0.35
HDAC1 Q13547 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
SCHEMBL5568471 0.99 VDR (0.37) VDRHDAC3HDAC6ARHDAC1
SCHEMBL5564932 0.92 S1PR1 (0.33) HDAC3HDAC6
SCHEMBL5568274 0.90 VDR (0.44) VDRHDAC3HDAC6ARHDAC1
SCHEMBL5565401 0.90 S1PR1 (0.32)
SCHEMBL5570234 0.89 TSHR (0.31)
SCHEMBL5568447 0.89 VDR (0.44) VDRHDAC3HDAC6ARHDAC1
SCHEMBL5569395 0.86 S1PR1 (0.32)
SCHEMBL5565421 0.85 CNR1 (0.30)
SCHEMBL5569453 0.84
SCHEMBL5564788 0.82 VDR (0.45) VDRHDAC3HDAC6ARHDAC1

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 VDR 3/4885HDAC3 2976/4885HDAC6 3568/4885

“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.