SCHEMBL7105909

SCHEMBL7105909

COc1cccc(Br)c1C.[MgH2]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
JAK2 O60674 2/20 0.43
BTK Q06187 2/20 0.43
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29427102 0.98 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL4119981 0.98 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL31648685 0.83 JAK2 (0.35) CA1CA2CA7CA9CA12
SCHEMBL6559354 0.81 ALDH1A1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL146841 0.80 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL971122 0.78 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL29588385 0.77 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL7101270 0.77 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL7930018 0.76 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL1829968 0.76 NQO2 (0.44) CA1CA2CA7CA9CA12

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 CA1 3697/4885CA2 2725/4885CA7 1220/4885

“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.