SCHEMBL5569448

SCHEMBL5569448

CCc1cc(CCCc2ccc(C(O)O)cc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.57
KAT8 Q9H7Z6 2/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
IGF1R P08069 4/20 0.42
ALOX15 P16050 4/20 0.42
IAPP P10997 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
SLC28A3 Q9HAS3 1/20 0.40
PPARA Q07869 1/20 0.40
ADRB2 P07550 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HSD17B1 P14061 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 0.87 BACE1 (0.72) BACE1KAT8ESR1ESR2IGF1R
SCHEMBL1023618 0.83 BACE1 (0.68) BACE1KAT8ESR1ESR2IGF1R
SCHEMBL1024796 0.82 BACE1 (0.66) BACE1KAT8ESR1ESR2IGF1R
SCHEMBL11328457 0.81 BACE1 (0.70) BACE1KAT8ESR1ESR2IGF1R
SCHEMBL5569771 0.81 ESR1 (0.52) KAT8ESR1ESR2IGF1RALOX15
SCHEMBL9650041 0.80 KAT8 (0.64) BACE1KAT8ESR1ESR2IGF1R
SCHEMBL1021979 0.80 KAT8 (0.64) BACE1KAT8ESR1ESR2IGF1R
SCHEMBL28362370 0.80 KAT8 (0.64) BACE1KAT8ESR1ESR2IGF1R
SCHEMBL28358737 0.80 KAT8 (0.64) BACE1KAT8ESR1ESR2IGF1R
SCHEMBL1023719 0.80 KAT8 (0.64) BACE1KAT8ESR1ESR2IGF1R

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 1060/4885KAT8 4452/4885ESR1 1406/4885

“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.