SCHEMBL5808907

SCHEMBL5808907

C=CCc1ccc2c(OCc3ccccc3)c(CC=C)ccc2c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 4/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL3295010 0.88 NPC1 (0.47) ALDH1A1L3MBTL1MAPTGAAHPGD
SCHEMBL30681594 0.87 BCHE (0.50) ALDH1A1L3MBTL1MAPTBCHEKDM4E
SCHEMBL30681593 0.87 BCHE (0.50) ALDH1A1L3MBTL1MAPTBCHEKDM4E
SCHEMBL5879447 0.86 BCHE (0.47) ALDH1A1L3MBTL1MAPTGAAHPGD
SCHEMBL5810886 0.83 NPC1 (0.41) ALDH1A1L3MBTL1MAPTGAAHPGD
SCHEMBL3290673 0.83 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTGAAHPGD
SCHEMBL5583660 0.83 KDM4E (0.41) ALDH1A1L3MBTL1MAPTGAAHPGD
SCHEMBL4226079 0.81 BCHE (0.43) ALDH1A1L3MBTL1MAPTGAAHPGD
SCHEMBL7562101 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTGAAHPGD
SCHEMBL4963194 0.80 BCHE (0.43) ALDH1A1L3MBTL1MAPTGAAHPGD

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
WO-2006107644-A1 COLORANT COMPOUNDS, INTERMEDIATES, AND COMPOSITIONS MILLIKEN & COMPANY (US) 2006-10-12 WO disclosed
US-20060223993-A1 Colorant compounds, intermediates, and compositions MILLIKEN & COMPANY 2006-10-05 US 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-20060223993-A1 Colorant compounds, intermediates, and compositions AAAS, TST, AADAC ALDH1A1 1339/4885L3MBTL1 2429/4885MAPT 1555/4885

“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.