SCHEMBL6472936

SCHEMBL6472936

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(COc2ccc(CO)c(O)c2C)ccc1CC

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.68
FFAR4 Q5NUL3 4/20 0.34
GABRA1 P14867 5/20 0.32
GABRB2 P47870 5/20 0.32
CETP P11597 2/20 0.32
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ALOX5 P09917 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
SCHEMBL6477633 0.86 VDR (0.67) VDRCETPALOX5
SCHEMBL2890399 0.83 VDR (0.73) VDRMAPTL3MBTL1
SCHEMBL4888601 0.83 VDR (0.92) VDRCETPS1PR1S1PR5ALOX5
SCHEMBL229168 0.81 VDR (1.00) VDRS1PR1S1PR5ALOX5
SCHEMBL4893153 0.80 VDR (0.83) VDRGABRA1GABRB2CETPALOX5
SCHEMBL6477462 0.80 VDR (0.79) VDRALOX5
SCHEMBL4881104 0.76 VDR (0.77) VDRFFAR4S1PR1S1PR5
SCHEMBL1022006 0.76 VDR (0.61) VDRMAPTTDP1L3MBTL1ALOX5
SCHEMBL4892728 0.75 VDR (0.72) VDRCETP
SCHEMBL2641441 0.74 VDR (0.84) VDRFFAR4S1PR1S1PR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US claimed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 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-20030195259-A1 Triaromatic vitamin D analogues CYP24A1, CYP2R1, VDR VDR 3/4885FFAR4 570/4885GABRA1 1351/4885

“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.