SCHEMBL5569437

SCHEMBL5569437

CCc1cc(CCCc2ccc(CO)c(CO)c2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.60
PKM P14618 1/20 0.45
IGF1R P08069 2/20 0.44
ALOX15 P16050 2/20 0.44
BCHE P06276 1/20 0.42
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
KAT8 Q9H7Z6 2/20 0.42
CYP19A1 P11511 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HSD17B1 P14061 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CDK1 P06493 1/20 0.40

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
SCHEMBL5595846 0.89 BACE1 (0.72) BACE1IGF1RALOX15ESR1ESR2
SCHEMBL11328457 0.84 BACE1 (0.70) BACE1IGF1RALOX15BCHEESR1
SCHEMBL6426751 0.83 BACE1 (0.40) BACE1IGF1RALOX15BCHEESR1
SCHEMBL5569766 0.83 ESR1 (0.52) BACE1IGF1RALOX15BCHEESR1
SCHEMBL1023618 0.82 BACE1 (0.68) BACE1IGF1RALOX15ESR1ESR2
SCHEMBL1024796 0.81 BACE1 (0.66) BACE1IGF1RALOX15ESR1ESR2
SCHEMBL11354203 0.81 NPC1 (0.53) BACE1PKMIGF1RALOX15ESR1
SCHEMBL18199330 0.80 TYR (0.48) ALOX15ESR1
SCHEMBL5373052 0.80 BACE1 (0.63) BACE1PKMALOX15ESR1ESR2
SCHEMBL1023719 0.79 KAT8 (0.64) BACE1IGF1RALOX15ESR1ESR2

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 BACE1 1060/4885PKM 4083/4885IGF1R 1383/4885

“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.