SCHEMBL6087007

SCHEMBL6087007

CC(C)Oc1ccc2c(O)c(-c3ccc(OCc4ccccc4)cc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.53
P2RY14 Q15391 1/20 0.48
MGAM O43451 3/20 0.47
GAA P10253 3/20 0.47
SI P14410 3/20 0.47
MGAM2 Q2M2H8 3/20 0.47
GSTP1 P09211 2/20 0.47
KCNA3 P22001 1/20 0.46
ALOX5 P09917 1/20 0.45
EDNRA P25101 1/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6088211 0.95 MCL1 (0.50) MCL1P2RY14MGAMGAASI
SCHEMBL6087461 0.89 ALOX5 (0.56) MCL1P2RY14MGAMGAASI
SCHEMBL6086702 0.87 MGAM (0.56) P2RY14MGAMGAASIMGAM2
SCHEMBL6086405 0.86 LMNA (0.54) MCL1P2RY14MGAMGAASI
SCHEMBL6087375 0.85 NPSR1 (0.58) P2RY14MGAMGAASIMGAM2
SCHEMBL6087312 0.84 ALDH2 (0.46) MCL1GAAPTGS1SLC6A2HIF1A
SCHEMBL1359809 0.82 ALOX5 (0.51) P2RY14MGAMGAASIMGAM2
SCHEMBL6086350 0.80 ALDH2 (0.43) GAACYP1A2CYP2C19MAOB
SCHEMBL6096490 0.79 ALDH2 (0.47) MCL1MAOBMAPT
SCHEMBL6087620 0.78 ERN1 (0.43) GSTP1L3MBTL1PTGS1PTGS2MAOB

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 MCL1 207/4885P2RY14 4785/4885MGAM 4205/4885

“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.