SCHEMBL7108553

SCHEMBL7108553

COc1cc(O)c[c]c1Oc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
LTA4H P09960 7/20 0.48
PSMB1 P20618 5/20 0.48
PSMB5 P28074 5/20 0.48
PSMB2 P49721 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
PTGS2 P35354 3/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL7650467 0.90 KDM4E (0.57) KDM4EESR1ESR2LTA4HPSMB1
SCHEMBL7778580 0.89 LTA4H (0.53) ESR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL3130426 0.86 LTA4H (0.52) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL7777295 0.85 LTA4H (0.53) ESR1ESR2LTA4HPSMB1PSMB5
SCHEMBL7212312 0.84 PSMB1 (0.49) KDM4ELTA4HPSMB1PSMB5PSMB2
SCHEMBL7466056 0.83 LTA4H (0.61) KDM4ELTA4H
SCHEMBL7505643 0.81 SMN1; SMN2 (0.47) KDM4EESR1ESR2LTA4HPOLB
SCHEMBL7441879 0.76 TDP1 (0.52) KDM4EESR1ESR2
SCHEMBL7926826 0.75 LTA4H (0.45) KDM4EESR1LTA4HPSMB1PSMB5
SCHEMBL7918786 0.74 LTA4H (0.47) KDM4ELTA4HPSMB1PSMB5PSMB2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204655-A2 A CRYSTALLINE FORM OF 6-HYDROXY-3-(4-[2-(PIPERIDIN-1-YL)ETHOXY] PHENOXY)-2-(4-METHOXYPHENYL)BENZO[B]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2002-05-15 EP claimed
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP claimed
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 US claimed
WO-2001009115-A2 A NOVEL CRYSTALLINE FORM OF 6-HYDROXY-3- (4-[2-(PIPERIDIN-1- YL)ETHOXY] PHENOXY)-2- (4-METHOXYPHENYL) BENZO[b]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2001-02-08 WO claimed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO claimed
WO-2001085147-A3 STABILIZED FORMULATIONS OF 6-HYDROXY-3-(4-[2-(PIPERIDIN-1-YL) ETHOXY]PHENOXY)-2-(4-METHOXYPHENYL) BENZO[b]THIOPHENE AND SALTS THEREOF LILLY CO ELI (US) 2003-08-28 WO disclosed
EP-1328521-A2 A CRYSTALLINE FORM OF 6-HYDROXY-3-(4-[2-(PIPERIDIN-1-YL)ETHOXY]PHENOXY)-2-(4-METHOXYPHENYL)BENZO[B]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2003-07-23 EP disclosed
US-20020198179-A1 Selective estrogen receptor modulators in combination with estrogens ENDORECHERCHE, INC. 2002-12-26 US disclosed
EP-1251855-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS IN COMBINATION WITH ESTROGENS Endorecherche, Inc. (CA) 2002-10-30 EP disclosed
EP-1204655-A2 A CRYSTALLINE FORM OF 6-HYDROXY-3-(4-[2-(PIPERIDIN-1-YL)ETHOXY] PHENOXY)-2-(4-METHOXYPHENYL)BENZO[B]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1204656-A2 A CRYSTALLINE FORM OF 6-HYDROXY-3-(4-[2-(PIPERIDIN-1-YL) ETHOXY] PHENOXY)-2-(4-METHOXYPHENYL) BENZO[B]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1204656-A2 A CRYSTALLINE FORM OF 6-HYDROXY-3-(4-[2-(PIPERIDIN-1-YL) ETHOXY] PHENOXY)-2-(4-METHOXYPHENYL) BENZO[B]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001085147-A2 STABILIZED FORMULATIONS OF 6-HYDROXY-3-(4-[2-(PIPERIDIN-1-YL) ETHOXY]PHENOXY)-2-(4-METHOXYPHENYL) BENZO[b]THIOPHENE AND SALTS THEREOF ELI LILLY AND COMPANY (US) 2001-11-15 WO disclosed
WO-2001009115-A3 A NOVEL CRYSTALLINE FORM OF 6-HYDROXY-3- (4-[2-(PIPERIDIN-1- YL)ETHOXY] PHENOXY)-2- (4-METHOXYPHENYL) BENZO[b]THIOPHENE HYDROCHLORIDE LILLY CO ELI (US) 2001-08-16 WO disclosed
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP disclosed
WO-2001054699-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS IN COMBINATION WITH ESTROGENS ENDORECHERCHE, INC. (CA) 2001-08-02 WO disclosed
WO-2001009115-A2 A NOVEL CRYSTALLINE FORM OF 6-HYDROXY-3- (4-[2-(PIPERIDIN-1- YL)ETHOXY] PHENOXY)-2- (4-METHOXYPHENYL) BENZO[b]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2001009115-A2 A NOVEL CRYSTALLINE FORM OF 6-HYDROXY-3- (4-[2-(PIPERIDIN-1- YL)ETHOXY] PHENOXY)-2- (4-METHOXYPHENYL) BENZO[b]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2001009116-A2 A NOVEL CRYSTALLINE FORM OF 6-HYDROXY-3- (4-[2-(PIPERIDIN-1-YL) ETHOXY]PHENOXY)- 2-(4-METHOXYPHENYL)BENZO[b]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 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-20020198179-A1 Selective estrogen receptor modulators in combination with estrogens KISS1R, ESR1, BRCA1 KDM4E 809/4885ESR1 2/4885ESR2 8/4885

“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.