SCHEMBL5565295

SCHEMBL5565295

CCOCOc1ccc(CCCc2ccc(C(=O)OC)c(C(=O)OC)c2)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
AKT1 P31749 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTPN1 P18031 1/20 0.35
CYP4A11 Q02928 3/20 0.35

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
SCHEMBL5568404 0.88 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2PPARGPPARA
SCHEMBL5568363 0.86 PPARA (0.44) HTTPPARGPPARAMAPTAKT1
SCHEMBL5569422 0.82 VDR (0.42) ALDH1A1HTTSMN1; SMN2PPARGPPARA
SCHEMBL5569389 0.79 BACE1 (0.51) ALDH1A1PPARGPPARAKDM4EMAPT
SCHEMBL28773091 0.74 PPARA (0.58) ALDH1A1PPARGPPARAKDM4EMAPT
SCHEMBL13332007 0.73 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2TDP1KDM4E
SCHEMBL22907008 0.72 CYP4A11 (0.63) ALDH1A1HTTPPARGPPARAKDM4E
SCHEMBL26270868 0.72 MAPT (0.51) ALDH1A1HTTSMN1; SMN2PPARGPPARA
SCHEMBL22032168 0.72 CYP4A11 (0.58) ALDH1A1HTTPPARGPPARAKDM4E
SCHEMBL7854193 0.71 GAA (0.47) ALDH1A1PPARGPPARAKDM4EMAPT

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-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US disclosed
EP-1537065-B1 ANALOGUES OF VITAMIN D GALDERMA RES & DEV (FR) 2006-11-02 EP disclosed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US disclosed
EP-1537065-A1 ANALOGUES OF VITAMIN D Galderma Research & Development, S.N.C. (FR) 2005-06-08 EP disclosed
WO-2004020379-A1 ANALOGUES OF VITAMIN D GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2004-03-11 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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR ALDH1A1 121/4885HTT 4034/4885SMN1; SMN2 4799/4885

“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.