SCHEMBL5569679

SCHEMBL5569679

Cc1cc(CCCc2ccc(CO)c(CO)c2)ccc1/C=C/C(O)C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.33
SPHK1 Q9NYA1 2/20 0.32
SPHK2 Q9NRA0 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
SCHEMBL5569685 1.00 VDR (0.33) VDRSPHK1SPHK2
SCHEMBL5569129 0.89 VDR (0.35) VDRSPHK1SPHK2
SCHEMBL5569124 0.89 VDR (0.35) VDRSPHK1SPHK2
SCHEMBL5569688 0.89 VDR (0.34) VDR
SCHEMBL5569683 0.89 VDR (0.34) VDR
SCHEMBL5569767 0.86 SPHK1 (0.34) VDRSPHK1SPHK2
SCHEMBL5569761 0.86 SPHK1 (0.34) VDRSPHK1SPHK2
SCHEMBL5569682 0.84 SPHK1 (0.33) SPHK1SPHK2
SCHEMBL5569833 0.83 PGR (0.36) VDR
SCHEMBL5569826 0.83 PGR (0.36) VDR

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 3/4885SPHK1 2476/4885SPHK2 2823/4885

“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.