SCHEMBL5568396

SCHEMBL5568396

C=CCc1ccc(OCOCC)c(CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.48
GABRB2 P47870 7/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
CNR2 P34972 3/20 0.46
PTGS1 P23219 2/20 0.43
CNR1 P21554 1/20 0.43
ALOX5 P09917 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5565436 0.84 ALDH1A1 (0.49) GABRA1GABRB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4019832 0.79 ALDH1A1 (0.63) GABRA1GABRB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL17594186 0.79 PTGS1 (0.52) ALDH1A1SMN1; SMN2NPC1TP53TSHR
SCHEMBL19314046 0.77 CNR2 (0.42) GABRA1GABRB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4352093 0.74 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2NPC1TP53TSHR
SCHEMBL12802185 0.73 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1SMN1; SMN2TP53
SCHEMBL5564797 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1TSHRRAB9A
Methyleugenol SCHEMBL5564535 0.72 ALDH1A1 (0.83) GABRA1GABRB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL11586876 0.71 CNR2 (0.52) GABRA1GABRB2ALDH1A1SMN1; SMN2PPARA
SCHEMBL7567988 0.71 ALDH1A1 (0.46) GABRA1GABRB2ALDH1A1SMN1; SMN2TP53

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 GABRA1 473/4885GABRB2 822/4885ALDH1A1 121/4885

“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.