SCHEMBL4366122

SCHEMBL4366122

COc1ccc2c(c1)CCC(c1ccccc1)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.60
CYP27A1 Q02318 3/20 0.60
CYP19A1 P11511 5/20 0.60
CYP26A1 O43174 3/20 0.59
DRD2 P14416 2/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
MIF P14174 1/20 0.50
MAOB P27338 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL15874767 1.00 CYP24A1 (0.60) CYP24A1CYP27A1CYP19A1CYP26A1DRD2
SCHEMBL5077391 0.92 CYP19A1 (0.57) CYP24A1CYP27A1CYP19A1CYP26A1DRD2
SCHEMBL6669546 0.92 CYP24A1 (0.53) CYP24A1CYP27A1CYP19A1CYP26A1DRD2
SCHEMBL4602048 0.90 DDB1 (0.56) CYP24A1CYP27A1CYP19A1CYP26A1DRD2
SCHEMBL10593732 0.86 CYP24A1 (0.52) CYP24A1CYP27A1CYP19A1CYP26A1DRD2
SCHEMBL10596034 0.86 CYP24A1 (0.52) CYP24A1CYP27A1CYP19A1CYP26A1DRD2
SCHEMBL9146594 0.86 CYP19A1 (0.63) CYP24A1CYP27A1CYP19A1CYP26A1DRD2
SCHEMBL8870256 0.85 CYP19A1 (0.60) CYP24A1CYP27A1CYP19A1CYP26A1DRD2
SCHEMBL22628673 0.84 CYP24A1 (0.47) CYP24A1CYP27A1CYP19A1CYP26A1DRD2
SCHEMBL10597721 0.84 CYP24A1 (0.47) CYP24A1CYP27A1CYP19A1CYP26A1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161384-A Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-12-20 CN disclosed
CN-112105607-B Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-08-27 CN disclosed
US-12018019-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-11384068-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2022-07-12 US disclosed
US-20200347032-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS RADIUS HEALTH, INC. 2020-11-05 US disclosed
US-10399939-B2 Tetrahydronaphthalene estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2019-09-03 US disclosed
US-10399939-B2 Tetrahydronaphthalene estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2019-09-03 US disclosed
EP-3374356-A1 TETRAHYDRONAPHTHALENE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-09-19 EP disclosed
WO-2017080966-A1 TETRAHYDRONAPHTHALENE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-05-18 WO disclosed
WO-2017080966-A1 TETRAHYDRONAPHTHALENE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-05-18 WO disclosed
US-7425568-B2 Compounds, which are potent inhibitors of Na+ /Ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2008-09-16 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
EP-1412343-B1 COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORP (FI) 2006-08-30 EP disclosed
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
US-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2004-11-25 US disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO disclosed
EP-1412343-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2004-04-28 EP disclosed
WO-2003006452-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2003-01-23 WO disclosed
EP-0163416-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
US-4751240-A ANTIFERTILITY AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-06-14 US 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 (6 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-20200347032-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS ESR2, GPER1, ESR1 CYP24A1 117/4885CYP27A1 232/4885CYP19A1 15/4885
US-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias CACNA1E, KCNN4, RYR2 CYP24A1 626/4885CYP27A1 412/4885CYP19A1 2036/4885
US-11384068-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 CYP24A1 117/4885CYP27A1 232/4885CYP19A1 15/4885
US-12018019-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 CYP24A1 117/4885CYP27A1 232/4885CYP19A1 15/4885
US-10399939-B2 Tetrahydronaphthalene estrogen receptor modulators and uses thereof GPER1, ESR2, ESR1 CYP24A1 95/4885CYP27A1 93/4885CYP19A1 8/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU CYP24A1 343/4885CYP27A1 274/4885CYP19A1 2119/4885

“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.