SCHEMBL6087312

SCHEMBL6087312

CC(C)Oc1ccc(-c2ccc3cc(OC(C)C)ccc3c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MCL1 Q07820 3/20 0.42
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
KMT2A Q03164 2/20 0.40
ERN1 O75460 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6087620 0.93 ERN1 (0.43) ALDH2MAOAMAOBERN1PTGS1
SCHEMBL6086350 0.93 ALDH2 (0.43) ALDH2MAOAMAOBERN1ALDH1A1
SCHEMBL6096490 0.91 ALDH2 (0.47) ALDH2MAOAMAOBMCL1ACACB
SCHEMBL6087007 0.84 MCL1 (0.53) MAOBMCL1GAAMAPTPTGS1
SCHEMBL6088211 0.84 MCL1 (0.50) MAOBMCL1GAAMAPTMAPK1
SCHEMBL6088276 0.80 SMN1; SMN2 (0.49) KMT2AALDH1A1POLBMEN1NPC1
SCHEMBL22325682 0.74 ALDH1A1 (0.54) MCL1KMT2AALDH1A1POLBPTGS1
SCHEMBL29629324 0.74 ALDH1A1 (0.54) MCL1KMT2AALDH1A1POLBPTGS1
SCHEMBL6086911 0.74 ESR2 (0.54) MAOAMAOBKMT2AALDH1A1MEN1
SCHEMBL3119421 0.72 CYP1A1 (0.43) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045628-B2 Synthesis of 2-aryl-1-naphthol derivatives via a tandem palladium catalyzed arylation and dehydrogenation ELI LILLY AND COMPANY (US) 2006-05-16 US disclosed
US-20040133047-A1 Synthesis of 2-aryl-1-naphthol derivatives via a tandem palladium catalyzed arylation and dehydrogenation MAY SCOTT ALLAN (US) 2004-07-08 US disclosed
WO-2002044119-A2 SYNTHESIS OF 2-ARYL-1-NAPHTHOL DERIVATIVES VIA A TANDEM PALLADIUM CATALYZED ARYLATION AND DEHYDROGENATION ELI LILLY AND COMPANY (US) 2002-06-06 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-20040133047-A1 Synthesis of 2-aryl-1-naphthol derivatives via a tandem palladium catalyzed arylation and dehydrogenation NQO1, CYP1A1, DDT ALDH2 275/4885MAOA 151/4885MAOB 210/4885

“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.