SCHEMBL2853381

SCHEMBL2853381

CCC(=O)c1ccc(-c2cc(OCc3ccc(CO)c(CO)c3)ccc2CC)c(CC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.58
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MAOB P27338 10/20 0.39
MAOA P21397 3/20 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
HPGD P15428 1/20 0.37
TSHR P16473 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
SCHEMBL2863404 0.94 VDR (0.68) VDRSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL2854307 0.89 VDR (0.52) VDRSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL2863416 0.86 VDR (0.58) VDRSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL2853384 0.83 RAB9A (0.46) VDRSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL2852532 0.83 SMN1; SMN2 (0.48) VDRSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL2854911 0.79 VDR (0.88) VDRRXRARXRBMAOBMAOA
SCHEMBL2863408 0.78 VDR (0.49) VDRSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL2857757 0.78 SRD5A2 (0.39) SMN1; SMN2RAB9AMAPTNPC1MEN1
SCHEMBL2858864 0.78 VDR (0.49) VDRSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL13604875 0.75 VDR (0.45) VDRSMN1; SMN2MAPTNPC1MEN1

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 VDR 3/4885SMN1; SMN2 4849/4885RAB9A 3535/4885

“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.