SCHEMBL6096490

SCHEMBL6096490

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ESR1 P03372 11/20 0.43
ESR2 Q92731 11/20 0.43
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABL1 P00519 1/20 0.39
ABCB1 P08183 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
SCHEMBL6087312 0.91 ALDH2 (0.46) ALDH2MAOAMAOBMEN1NPC1
SCHEMBL6087620 0.87 ERN1 (0.43) ALDH2MAOAMAOBSMN1; SMN2ERN1
SCHEMBL6086350 0.84 ALDH2 (0.43) ALDH2MAOAMAOBHPGDSMN1; SMN2
SCHEMBL6086911 0.84 ESR2 (0.54) MAOAMAOBESR1ESR2MEN1
SCHEMBL6088211 0.81 MCL1 (0.50) MAOBMAPTMCL1
SCHEMBL6087007 0.79 MCL1 (0.53) MAOBMAPTMCL1
SCHEMBL6088276 0.74 SMN1; SMN2 (0.49) ESR2MEN1NPC1TP53MAPT
SCHEMBL6086405 0.74 LMNA (0.54) MAOAMAOBESR1ESR2MEN1
SCHEMBL863444 0.72 ESR2 (0.58) ALDH2MAOAMAOBESR1ESR2
SCHEMBL14558996 0.71 ESR1 (0.47) ESR1ESR2

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.