SCHEMBL2855100

SCHEMBL2855100

CCC(=O)c1ccc(-c2cc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)ccc2CC)c(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 6/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.39
FFAR1 O14842 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
VDR P11473 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2852532 0.90 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AMAPTGAAALDH1A1
SCHEMBL2858864 0.87 VDR (0.49) SMN1; SMN2RAB9AMAPTGAAALDH1A1
SCHEMBL2854307 0.84 VDR (0.52) SMN1; SMN2RAB9AMAPTGAAALDH1A1
SCHEMBL2854311 0.81 RXRA (0.44) SMN1; SMN2RAB9AMAPTGAAALDH1A1
SCHEMBL2851878 0.80 RAB9A (0.44) SMN1; SMN2RAB9AMAPTGAAALDH1A1
SCHEMBL2855102 0.75 PPARA (0.37) SMN1; SMN2RAB9AMAPTGAAALDH1A1
SCHEMBL2863756 0.75 SRD5A2 (0.38) SMN1; SMN2RAB9AMAPTGAAALDH1A1
SCHEMBL6888088 0.75 PPARG (0.46) SMN1; SMN2MAPTALDH1A1HTTKMT2A
SCHEMBL6566321 0.74 MRGPRX4 (0.48) SMN1; SMN2RAB9AALDH1A1HTTL3MBTL1
SCHEMBL2853381 0.73 VDR (0.58) SMN1; SMN2RAB9AMAPTGAAALDH1A1

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
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP disclosed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 US disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO 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 SMN1; SMN2 4849/4885RAB9A 3535/4885MAPT 3392/4885

“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.