SCHEMBL6291111

SCHEMBL6291111

COc1cc(C=O)cc(OC)c1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TRIM24 O15164 1/20 0.52
HPGD P15428 1/20 0.52
ALDH5A1 P51649 1/20 0.52
ABAT P80404 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
FDPS P14324 1/20 0.49
AOX1 Q06278 1/20 0.47
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.42
PRKDC P78527 1/20 0.41
TTR P02766 1/20 0.41
ALDH1A3 P47895 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 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
SCHEMBL13643409 0.89 ALDH1A1 (0.46) ALDH1A1TSHRTDP1TRIM24HPGD
SCHEMBL150381 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTDP1TRIM24HPGD
SCHEMBL6556526 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1TRIM24HPGD
SCHEMBL11849166 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTDP1TRIM24HPGD
SCHEMBL17345395 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTDP1TRIM24HPGD
Alcohol SCHEMBL28096074 0.78 ALDH1A1 (0.51) ALDH1A1TSHRTDP1TRIM24HPGD
Syringaldehyde SCHEMBL28294707 0.78 ALDH1A1 (0.55) ALDH1A1TSHRTDP1TRIM24HPGD
SCHEMBL919081 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTDP1TRIM24HPGD
SCHEMBL14302478 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTDP1TRIM24HPGD
SCHEMBL8155224 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTDP1TRIM24HPGD

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-6872711-B2 β-substituted β-aminoethyl phosphonate derivatives ILEX ONCOLOGY RESEARCH S.A. (CH) 2005-03-29 US disclosed
EP-1330463-A2 BETA-SUBSTITUTED BETA-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-07-30 EP disclosed
US-20020111488-A1 Beta-substitued beta-aminoethyl phosphonate derivatives ILEX PRODUCTS, INC. 2002-08-15 US disclosed
WO-2002034756-A2 BETA-SUBSTITUTED BETA-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-05-02 WO disclosed
US-3931181-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1976-01-06 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-20020111488-A1 Beta-substitued beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 ALDH1A1 3772/4885TSHR 4263/4885TDP1 2151/4885

“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.