SCHEMBL5565653

SCHEMBL5565653

Cc1cc(CCCc2ccc(CO)c(CO)c2)ccc1CCC(O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.36
SHBG P04278 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
SKP2 Q13309 1/20 0.31
TYR P14679 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CETP P11597 1/20 0.30

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
SCHEMBL5569120 0.88 VDR (0.37) VDRSHBGSKP2TYR
SCHEMBL5565407 0.87 VDR (0.36) VDRTYRL3MBTL1
SCHEMBL5570189 0.82 VDR (0.35) VDRSHBGSKP2TYR
SCHEMBL5569695 0.81 VDR (0.34) VDR
SCHEMBL5570821 0.81 VDR (0.41) VDR
SCHEMBL5569679 0.76 VDR (0.33) VDR
SCHEMBL5569685 0.76 VDR (0.33) VDR
SCHEMBL5569688 0.76 VDR (0.34) VDRSHBG
SCHEMBL5569683 0.76 VDR (0.34) VDRSHBG
SCHEMBL5569007 0.75 VDR (0.34) VDRTYR

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 3/4885SHBG 68/4885PTGS1 1583/4885

“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.