SCHEMBL5570189

SCHEMBL5570189

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.35
TYR P14679 2/20 0.34
SHBG P04278 1/20 0.33
SKP2 Q13309 1/20 0.32
ESR1 P03372 1/20 0.31
CYP19A1 P11511 1/20 0.31
ESR2 Q92731 1/20 0.31
HPGD P15428 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
SCHEMBL5570212 0.86 TYR (0.34) VDRTYRESR1CYP19A1ESR2
SCHEMBL5569120 0.85 VDR (0.37) VDRTYRSHBGSKP2ESR1
SCHEMBL5570273 0.83 VDR (0.38) VDRTYR
SCHEMBL5565653 0.82 VDR (0.36) VDRTYRSHBGSKP2
SCHEMBL5569692 0.81 VDR (0.41) VDR
SCHEMBL5569622 0.79 S1PR1 (0.33) VDR
SCHEMBL5568642 0.78 S1PR1 (0.34)
SCHEMBL5569761 0.77 SPHK1 (0.34) VDRSHBG
SCHEMBL5569767 0.77 SPHK1 (0.34) VDRSHBG
SCHEMBL5569766 0.75 ESR1 (0.52) VDRSHBGESR1CYP19A1ESR2

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 3/4885TYR 166/4885SHBG 68/4885

“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.