SCHEMBL6142004

SCHEMBL6142004

COc1ccc(O)c(C(C)(C)C)c1.COc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
GAA P10253 3/20 0.73
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
ALOX15 P16050 3/20 0.57
LMNA P02545 2/20 0.57
NR1I2 O75469 1/20 0.57
CYP2C9 P11712 1/20 0.57
MIF P14174 1/20 0.57
TYR P14679 1/20 0.57
HTT P42858 1/20 0.57
NFE2L2 Q16236 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ESRRA P11474 3/20 0.56
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL29362042 1.00 ALDH1A1 (0.73) ALDH1A1GAACA1CA2ALOX15
SCHEMBL35535 1.00 ALDH1A1 (0.73) ALDH1A1GAACA1CA2ALOX15
SCHEMBL20548778 0.98 ALDH1A1 (0.71) ALDH1A1GAACA1CA2ALOX15
SCHEMBL8986474 0.96 ALDH1A1 (0.69) ALDH1A1GAACA1CA2ALOX15
SCHEMBL28222440 0.91 ALDH1A1 (0.63) ALDH1A1GAACA1CA2ALOX15
Acetic Acid SCHEMBL20548506 0.91 ALDH1A1 (0.63) ALDH1A1GAACA1CA2ALOX15
1-Hydroxy-3-Methoxybenzene SCHEMBL625269 0.89 ALDH1A1 (0.70) ALDH1A1GAACA1CA2ALOX15
Butylated Hydroxytoluene SCHEMBL8847112 0.88 CA2 (0.62) ALDH1A1GAACA1CA2ALOX15
Malonic Acid SCHEMBL20548879 0.87 ALDH1A1 (0.58) ALDH1A1GAACA1CA2ALOX15
Terephthalic Acid SCHEMBL20548873 0.87 ESRRA (0.60) ALDH1A1GAACA1CA2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282588-B1 PREPARATION OF HYDROXY COMPOUNDS NORSK HYDRO AS (NO) 2005-01-05 EP claimed
US-20040010166-A1 Preparation of hydroxy compounds NORSK HYDRO ASA (NO) 2004-01-15 US claimed
EP-1282588-A1 PREPARATION OF HYDROXY COMPOUNDS Norsk Hydro ASA (NO) 2003-02-12 EP claimed
WO-2001085658-A1 PREPARATION OF HYDROXY COMPOUNDS NORSK HYDRO ASA (NO) 2001-11-15 WO claimed
EP-1282588-B1 PREPARATION OF HYDROXY COMPOUNDS NORSK HYDRO AS (NO) 2005-01-05 EP disclosed
US-20040010166-A1 Preparation of hydroxy compounds NORSK HYDRO ASA (NO) 2004-01-15 US disclosed
EP-1282588-A1 PREPARATION OF HYDROXY COMPOUNDS Norsk Hydro ASA (NO) 2003-02-12 EP disclosed
WO-2001085658-A1 PREPARATION OF HYDROXY COMPOUNDS NORSK HYDRO ASA (NO) 2001-11-15 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-20040010166-A1 Preparation of hydroxy compounds CYP19A1, CYP21A2, CYP11B1 ALDH1A1 243/4885GAA 961/4885CA1 4552/4885

“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.