SCHEMBL5879440

SCHEMBL5879440

CCOc1c(CC2CO2)cccc1CC1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TP53 P04637 4/20 0.41
TSHR P16473 4/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
DRD4 P21917 1/20 0.36
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL13988953 0.89 TP53 (0.36) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL12670349 0.89 L3MBTL1 (0.39) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL5879496 0.85 L3MBTL1 (0.36) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL283604 0.84 ALDH1A1 (0.55) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL14397632 0.84 ALDH1A1 (0.55) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL5879434 0.82 ALDH1A1 (0.46) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL5879425 0.81 ALDH1A1 (0.39) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7712258 0.81 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL14199653 0.81 DRD4 (0.51) ALDH1A1TP53GLATDP1MAPT
SCHEMBL28702790 0.80 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141684-B2 Diepoxide derivatives of diallyl phenolics PEWS R GARTH 2006-11-28 US claimed
US-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics PEWS R G (US) 2005-04-28 US claimed

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-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics EBP, EED, ESR2 ALDH1A1 194/4885TP53 2895/4885TSHR 4303/4885

“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.