SCHEMBL5569388

SCHEMBL5569388

CCc1cc(C(CC)(CC)COc2ccc(CO)c(CO)c2)ccc1OCC(O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 7/20 0.37
HDAC6 Q9UBN7 5/20 0.36
HDAC3 O15379 2/20 0.36
AR P10275 4/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
HDAC1 Q13547 1/20 0.34
CETP P11597 2/20 0.34
PPARD Q03181 4/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34

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
SCHEMBL5565483 0.91 VDR (0.47) VDRHDAC6HDAC3ARHDAC1
SCHEMBL5569788 0.90 VDR (0.36) VDRHDAC6HDAC3ARCETP
SCHEMBL5565396 0.87 VDR (0.38) VDRHDAC6HDAC3AR
SCHEMBL5569496 0.85 VDR (0.39) VDRCETPPPARDPPARGPPARA
SCHEMBL5565409 0.83 VDR (0.38) VDRHDAC6HDAC3ARHDAC1
SCHEMBL5565545 0.82 VDR (0.36) VDRCETP
SCHEMBL5569607 0.82 VDR (0.58) VDRHDAC6HDAC3ARHDAC1
SCHEMBL5568661 0.78 VDR (0.36) VDRCETP
SCHEMBL5568658 0.78 VDR (0.36) VDRCETP
SCHEMBL5569522 0.78 VDR (0.40) VDRHDAC6HDAC3ARPPARD

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 3/4885HDAC6 3568/4885HDAC3 2976/4885

“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.