SCHEMBL7110303

SCHEMBL7110303

COc1ccc([Mg]Br)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
SLC6A4 P31645 5/20 0.36
HTR2A P28223 4/20 0.36
KCNH2 Q12809 3/20 0.36
SNCA P37840 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1022299 0.78 GAA (0.41) CA12CA1CA2CA7CA9
SCHEMBL1416677 0.78 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL31737526 0.78 GAA (0.41) CA12CA1CA2CA7CA9
SCHEMBL30792548 0.78 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9510477 0.76 CYP1A2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3016274 0.73 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1145316 0.73 SLC6A4 (0.54) CA12CA1CA2CA7CA9
SCHEMBL29768449 0.73 SLC6A4 (0.54) CA12CA1CA2CA7CA9
SCHEMBL21950835 0.73 CRHR1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL922966 0.72 ALDH1A1 (0.57) CA12CA1CA2CA7CA9

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
US-6599920-B2 Antiestrogenic compound having fewer or no estrogen agonist properties on reproductive tissues ELI LILLY AND COMPANY 2003-07-29 US disclosed
US-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-0826670-B1 Naphthalene compounds, intermediates, formulations, and methods LILLY CO ELI (US) 2002-05-08 EP disclosed
EP-0826680-B1 Dihydronaphthalene and naphthalene compounds, intermediates, formulations, and methods of preparation thereof. LILLY CO ELI (US) 2001-10-24 EP disclosed
US-6020513-A BONE DISORDERS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
US-5958916-A FOR INHIBITING BONE LOSS OR BONE RESORPTION ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed
EP-0826680-A1 Dihydronaphthalene and naphthalene compounds, intermediates, formulations, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed
EP-0826670-A1 Naphthalene compounds, intermediates, formulations, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP 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-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS NDC1, SQLE, NQO1 CA12 1487/4885CA1 3697/4885CA2 2725/4885

“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.