SCHEMBL6491892

SCHEMBL6491892

CCOC(=O)COc1ccc2ccccc2c1C=Cc1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPT P10636 4/20 0.67
HPGD P15428 3/20 0.67
MAPK1 P28482 3/20 0.67
LMNA P02545 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
TLR9 Q9NR96 2/20 0.67
MITF O75030 1/20 0.67
HSP90AA1 P07900 1/20 0.67
PKM P14618 1/20 0.67
POLB P06746 3/20 0.51
G6PD P11413 1/20 0.51
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PRNP P04156 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
USP2 O75604 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
SCHEMBL6499271 0.86 POLB (0.56) ALDH1A1MAPTHPGDMAPK1LMNA
SCHEMBL30066993 0.82 MAPT (0.69) ALDH1A1MAPTHPGDMAPK1LMNA
SCHEMBL29227146 0.81 CYP1A1 (0.47) ALDH1A1MAPTHPGDMAPK1LMNA
SCHEMBL29227143 0.81 CYP1A1 (0.47) ALDH1A1MAPTHPGDMAPK1LMNA
SCHEMBL6496200 0.81 MEN1 (0.55) ALDH1A1MAPTHPGDMAPK1LMNA
Hydrochloric Acid SCHEMBL6491093 0.80 MEN1 (0.54) ALDH1A1MAPTHPGDMAPK1LMNA
SCHEMBL22610045 0.77 ALDH1A1 (0.61) ALDH1A1MAPTHPGDMAPK1LMNA
SCHEMBL29485630 0.77 ALDH1A1 (0.61) ALDH1A1MAPTHPGDMAPK1LMNA
SCHEMBL6498396 0.77 MAPT (0.61) ALDH1A1MAPTHPGDLMNAHSP90AA1
SCHEMBL2604927 0.77 MAPT (0.61) ALDH1A1MAPTHPGDLMNAHSP90AA1

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-6846830-B2 Naphtalene derivatives and their pharmaceutical use ELI LILLY AND COMPANY (US) 2005-01-25 US disclosed
US-20030073725-A1 Naphtalene derivatives and their pharmaceutical use ELI LILLY AND COMPANY 2003-04-17 US disclosed
EP-1272469-A1 NAPHTHALENE DERIVATIVES AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2003-01-08 EP disclosed
EP-1138328-A1 Naphthalene derivatives as CNS drugs ELI LILLY AND COMPANY LIMITED (GB) 2001-10-04 EP disclosed
WO-2001072709-A1 NAPHTALENE DERIVATIVES AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2001-10-04 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-20030073725-A1 Naphtalene derivatives and their pharmaceutical use CHRNA6, ATP6V1B2, GRM6 ALDH1A1 1722/4885MAPT 2452/4885HPGD 1020/4885

“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.