SCHEMBL5564932

SCHEMBL5564932

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
PPARA Q07869 1/20 0.30
MAPT P10636 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL5569718 0.92 VDR (0.37) HDAC3HDAC6
SCHEMBL5569395 0.91 S1PR1 (0.32) S1PR1FFAR4
SCHEMBL5568471 0.91 VDR (0.37) HDAC3HDAC6
SCHEMBL5565401 0.87 S1PR1 (0.32) S1PR1ALDH1A1TSHRCASP1MAPT
SCHEMBL5570234 0.86 TSHR (0.31) S1PR1ALDH1A1TSHRCASP1
SCHEMBL5568583 0.85 S1PR1 (0.31) S1PR1
SCHEMBL5569478 0.82 FFAR4 (0.39) S1PR1FFAR4ALDH1A1S1PR3S1PR5
SCHEMBL5569709 0.82
SCHEMBL5568274 0.81 VDR (0.44) HDAC3HDAC6
SCHEMBL5568447 0.80 VDR (0.44) HDAC3HDAC6

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 S1PR1 2544/4885FFAR4 347/4885ALDH1A1 121/4885

“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.