SCHEMBL4601699

SCHEMBL4601699

Oc1cccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCC3CCCCN3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.66
ESR2 Q92731 16/20 0.66
SSTR2 P30874 2/20 0.51
LTA4H P09960 2/20 0.42

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
SCHEMBL4601380 0.94 ESR1 (0.59) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6003323 0.93 ESR1 (0.66) ESR1ESR2SSTR2LTA4H
Hydrochloric Acid SCHEMBL6003314 0.92 ESR1 (0.68) ESR1ESR2SSTR2LTA4H
SCHEMBL6232447 0.89 ESR1 (0.57) ESR1ESR2SSTR2
SCHEMBL6235937 0.89 ESR1 (0.57) ESR1ESR2SSTR2LTA4H
Hydrochloric Acid SCHEMBL6004608 0.88 ESR1 (0.58) ESR1ESR2SSTR2LTA4H
SCHEMBL5706949 0.88 ESR1 (0.58) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6003405 0.88 ESR1 (0.66) ESR1ESR2SSTR2
Hydrochloric Acid SCHEMBL6005752 0.88 ESR1 (0.67) ESR1ESR2SSTR2LTA4H
Hydrochloric Acid SCHEMBL6004621 0.88 ESR1 (0.59) ESR1ESR2SSTR2LTA4H

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-A3 CRYSTALLINE NON-SOLVATED METHANESULFONIC ACID SALT OF 1-(4-(2-PIPERIDINYLETHOXY)PHENOXY)-2-(3-HYDROXYPHENYL)-6-HYDROXYNAPHTHALENE LILLY CO ELI (US) 2007-04-05 WO disclosed
WO-2007016139-A3 CRYSTALLINE NON-SOLVATED METHANESULFONIC ACID SALT OF 1-(4-(2-PIPERIDINYLETHOXY)PHENOXY)-2-(3-HYDROXYPHENYL)-6-HYDROXYNAPHTHALENE LILLY CO ELI (US) 2007-04-05 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
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 4681/4885SSTR2 1730/4885

“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.