SCHEMBL4890229

SCHEMBL4890229

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(N(CC)Cc2ccc(CO)c(CO)c2)ccc1C

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.73
S1PR1 P21453 10/20 0.40
NR1H2 P55055 8/20 0.34
NR1H3 Q13133 8/20 0.34

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
SCHEMBL2640259 0.96 VDR (0.67) VDRS1PR1NR1H2NR1H3
SCHEMBL4883054 0.94 VDR (0.73) VDRS1PR1NR1H2NR1H3
SCHEMBL4895050 0.91 VDR (0.65) VDRS1PR1NR1H2NR1H3
SCHEMBL4893090 0.90 VDR (0.58) VDRS1PR1NR1H2NR1H3
SCHEMBL4891911 0.90 VDR (0.74) VDR
SCHEMBL4891131 0.86 VDR (0.65) VDRS1PR1NR1H2NR1H3
SCHEMBL4883569 0.85 VDR (0.60) VDRS1PR1NR1H2NR1H3
SCHEMBL6579866 0.85 VDR (0.68) VDRS1PR1NR1H2NR1H3
SCHEMBL2855063 0.85 VDR (1.00) VDR
SCHEMBL4891909 0.81 VDR (0.84) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds GALDERMA RESEARCH AND DEVELOPMENT (FR) 2008-08-14 US claimed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US claimed
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds GALDERMA RESEARCH AND DEVELOPMENT (FR) 2008-08-14 US disclosed
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 (2 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 3/4885S1PR1 3109/4885NR1H2 157/4885
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds CYP24A1, VDR, SOST VDR 2/4885S1PR1 321/4885NR1H2 278/4885

“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.