SCHEMBL4601643

SCHEMBL4601643

COc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.73
ESR2 Q92731 15/20 0.73
LTA4H P09960 1/20 0.53
BACE1 P56817 1/20 0.50

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
Hydrochloric Acid SCHEMBL6050097 0.99 ESR1 (0.72) ESR1ESR2LTA4H
SCHEMBL6050123 0.94 ESR1 (0.84) ESR1ESR2
SCHEMBL1358261 0.93 ESR1 (0.80) ESR1ESR2LTA4H
SCHEMBL10306631 0.93 ESR1 (0.80) ESR1ESR2LTA4H
SCHEMBL7803056 0.93 ESR1 (0.66) ESR1ESR2LTA4HBACE1
Hydrochloric Acid SCHEMBL6050311 0.93 ESR1 (0.83) ESR1ESR2
Hydrochloric Acid SCHEMBL1359721 0.93 ESR1 (0.79) ESR1ESR2
SCHEMBL6050058 0.93 ESR1 (0.86) ESR1ESR2
Hydrochloric Acid SCHEMBL1359377 0.93 ESR1 (0.79) ESR1ESR2
Hydrochloric Acid SCHEMBL6050193 0.92 ESR1 (0.65) ESR1ESR2LTA4HBACE1

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
EP-0826679-B1 Naphthyl compounds and compositions LILLY CO ELI (US) 2001-11-21 EP claimed
WO-1998008797-A1 NAPHTHYL COMPOUNDS, INTERMEDIATES, COMPOSITIONS, AND METHODS OF USE ELI LILLY AND COMPANY (US) 1998-03-05 WO claimed
US-20080200507-A1 Crystalline Non-Solvated Methanesulfonic Acid Salt of 1-(4-(2-Piperidinylethoxy)Phenoxy)-2-(3-Hydroxyphenyl)-6-Hydroxynaphthalene ELI LILLY AND COMPANY 2008-08-21 US disclosed
US-20080200507-A1 Crystalline Non-Solvated Methanesulfonic Acid Salt of 1-(4-(2-Piperidinylethoxy)Phenoxy)-2-(3-Hydroxyphenyl)-6-Hydroxynaphthalene ELI LILLY AND COMPANY 2008-08-21 US disclosed
US-20080200507-A1 Crystalline Non-Solvated Methanesulfonic Acid Salt of 1-(4-(2-Piperidinylethoxy)Phenoxy)-2-(3-Hydroxyphenyl)-6-Hydroxynaphthalene ELI LILLY AND COMPANY 2008-08-21 US disclosed
EP-1912962-A2 CRYSTALLINE NON-SOLVATED METHANESULFONIC ACID SALT OF 1-(4-(2-PIPERIDINYLETHOXY)PHENOXY)-2-(3-HYDROXYPHENYL)-6-HYDROXYNAPHTHALENE ELI LILLY AND COMPANY (US) 2008-04-23 EP disclosed
WO-2007016139-A2 CRYSTALLINE NON-SOLVATED METHANESULFONIC ACID SALT OF 1-(4-(2-PIPERIDINYLETHOXY)PHENOXY)-2-(3-HYDROXYPHENYL)-6-HYDROXYNAPHTHALENE ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
WO-2007016139-A2 CRYSTALLINE NON-SOLVATED METHANESULFONIC ACID SALT OF 1-(4-(2-PIPERIDINYLETHOXY)PHENOXY)-2-(3-HYDROXYPHENYL)-6-HYDROXYNAPHTHALENE ELI LILLY AND COMPANY (US) 2007-02-08 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-20080200507-A1 Crystalline Non-Solvated Methanesulfonic Acid Salt of 1-(4-(2-Piperidinylethoxy)Phenoxy)-2-(3-Hydroxyphenyl)-6-Hydroxynaphthalene MPHOSPH6, HCN2, HCN1 ESR1 4544/4885ESR2 4681/4885LTA4H 1455/4885

“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.