Tamoxifen

Tamoxifen

SCHEMBL5322913

CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O.[NH3+][O-]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Tamoxifen. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 8/20 0.94
ESR2 Q92731 6/20 0.94
MEN1 O00255 4/20 0.94
TP53 P04637 4/20 0.94
KMT2A Q03164 4/20 0.94
CYP3A4 P08684 3/20 0.94
CYP1A2 P05177 3/20 0.94
CYP2D6 P10635 3/20 0.94
KDM4E B2RXH2 3/20 0.94
LMNA P02545 3/20 0.94
ALDH1A1 P00352 2/20 0.94
HIF1A Q16665 2/20 0.94
CYP2C9 P11712 2/20 0.94
MAPK1 P28482 2/20 0.94
GMNN O75496 1/20 0.94
TSHR P16473 1/20 0.94
ALOX12 P18054 1/20 0.94
NFKB1 P19838 1/20 0.94
CYP2C19 P33261 1/20 0.94
THPO P40225 1/20 0.94

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
Tamoxifen SCHEMBL26077 0.97 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL5328781 0.97 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL10336277 0.97 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL6365 0.97 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL17164701 0.97 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL4019370 0.97 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL178086 0.97 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL7744729 0.95 ESR1 (0.96) ESR1ESR2MEN1TP53KMT2A
SCHEMBL4104443 0.91 ESR1 (0.89) ESR1ESR2MEN1TP53KMT2A
Toremifene SCHEMBL21464516 0.91 ESR1 (0.87) ESR1ESR2MEN1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007128672-A1 SUBSTITUTED HEXAHYDRO-1,4-DIAZEPIN-5-ONES AND COMPOSITIONS STABILIZED THEREWITH CIBA HOLDING INC. (CH) 2007-11-15 WO disclosed
US-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith WOOD MERVIN G 2007-11-08 US disclosed
US-6902695-B2 Stabilizer combination for the rotomolding process CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-06-07 US disclosed
CN-1196740-C Stabilizer composition for rotational moulding CIBA SC HOLDING AG (CH) 2005-04-13 CN disclosed
US-20040210056-A1 Water compatible sterically hindered alkoxyamines and hydroxy substituted alkoxyamines CIBA SPECIALTY CHEMICALS CORP. 2004-10-21 US disclosed
US-20040152807-A1 Stabilizer combination for the rotomolding process STADLER URS LEO (US) 2004-08-05 US disclosed
US-20020156162-A1 Stabilizer combination for the rotomolding process STADLER URS LEO (US) 2002-10-24 US disclosed
US-6444733-B1 USING STABILIZER MIXTURE CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-03 US disclosed
CN-1269378-A Stabilizer composition for rotational moulding CIBA SC HOLDING AG (CH) 2000-10-11 CN disclosed
EP-1038912-A2 High molecular weight hindered hydrocarbyloxyamine stabilizers Ciba SC Holding AG (CH) 2000-09-27 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 (2 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-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith CRY1, GPX4, CAND1 ESR1 3222/4885ESR2 2426/4885MEN1 1833/4885
US-20040210056-A1 Water compatible sterically hindered alkoxyamines and hydroxy substituted alkoxyamines HRH3, CCNH, H1-2 ESR1 3149/4885ESR2 2151/4885MEN1 3444/4885

“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.