SCHEMBL7129045

SCHEMBL7129045

c1ccc(OCCCCOc2ccccc2CC2CO2)c(CC2CO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD4 P21917 2/20 0.38
HRH1 P35367 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL3899604 0.98 ALDH1A1 (0.45) ALDH1A1GLATDP1L3MBTL1TP53
SCHEMBL3896617 0.98 ALDH1A1 (0.45) ALDH1A1GLATDP1L3MBTL1TP53
SCHEMBL3909222 0.98 ALDH1A1 (0.45) ALDH1A1GLATDP1L3MBTL1TP53
SCHEMBL3900147 0.96 ALDH1A1 (0.46) ALDH1A1GLATDP1L3MBTL1TP53
SCHEMBL7123430 0.95 ALDH1A1 (0.47) ALDH1A1GLATDP1L3MBTL1TP53
SCHEMBL14199651 0.88 ALDH1A1 (0.46) ALDH1A1GLATDP1L3MBTL1TP53
SCHEMBL1129712 0.86 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53CYP1A2
SCHEMBL14199653 0.84 DRD4 (0.51) ALDH1A1GLATDP1L3MBTL1TP53
SCHEMBL3372443 0.83 ALDH1A1 (0.46) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL6305830 0.83 ALDH1A1 (0.46) ALDH1A1GLATDP1TP53CYP3A4

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-6670474-B2 Such as bis-1,2-(2-(2,3-epoxypropyl)phenoxy)ethane; chemical intermediates for formation of epoxy resins PEWS R GARTH (US) 2003-12-30 US claimed
US-20020151731-A1 Novel epoxide derivatives of allylarylphenols PEWS R GARTH (US) 2002-10-17 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-20020151731-A1 Novel epoxide derivatives of allylarylphenols EPHX2, CBR3, CYP4X1 ALDH1A1 578/4885GLA 2736/4885TDP1 4186/4885

“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.