SCHEMBL4104443

SCHEMBL4104443

CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OC(=O)CC(O)(CC(=O)O)C(=O)O)cc1)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.89
ESR2 Q92731 5/20 0.89
MEN1 O00255 4/20 0.89
TP53 P04637 4/20 0.89
KMT2A Q03164 4/20 0.89
CYP3A4 P08684 3/20 0.89
CYP1A2 P05177 3/20 0.89
CYP2D6 P10635 3/20 0.89
KDM4E B2RXH2 3/20 0.89
LMNA P02545 3/20 0.89
ALDH1A1 P00352 2/20 0.89
HIF1A Q16665 2/20 0.89
CYP2C9 P11712 2/20 0.89
MAPK1 P28482 2/20 0.89
GMNN O75496 1/20 0.89
TSHR P16473 1/20 0.89
ALOX12 P18054 1/20 0.89
NFKB1 P19838 1/20 0.89
CYP2C19 P33261 1/20 0.89
THPO P40225 1/20 0.89

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 0.94 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL6365 0.94 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL4019370 0.94 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL178086 0.94 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL17164701 0.94 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL5328781 0.94 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL10336277 0.94 ESR1 (1.00) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL7744729 0.92 ESR1 (0.96) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL5322913 0.91 ESR1 (0.94) ESR1ESR2MEN1TP53KMT2A
Tamoxifen SCHEMBL2406557 0.90 ESR1 (0.84) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242098-B2 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH LLC (US) 2012-08-14 US claimed
US-7488734-B2 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH (US) 2009-02-10 US claimed
US-7192956-B2 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH (US) 2007-03-20 US claimed
EP-1531806-A4 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP claimed
EP-1515725-A4 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP claimed
EP-1531806-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-05-25 EP claimed
EP-1515725-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-03-23 EP claimed
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH 2004-01-08 US claimed
US-20040002535-A1 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH (US) 2004-01-01 US claimed
WO-2004000801-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO claimed
WO-2004000225-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO claimed
US-20120220558-A1 Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives WYETH LLC (US) 2012-08-30 US disclosed
US-8242098-B2 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH LLC (US) 2012-08-14 US disclosed
US-20090099223-A1 METHODS OF TREATING HORMONE-RELATED CONDITIONS USING THIO-OXINDOLE DERIVATIVES WYETH (US) 2009-04-16 US disclosed
US-7488734-B2 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH (US) 2009-02-10 US disclosed
EP-1515725-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-03-23 EP disclosed
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH 2004-01-08 US disclosed
US-20040002535-A1 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH (US) 2004-01-01 US disclosed
WO-2004000801-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO disclosed
WO-2004000225-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 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 (4 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-20040002535-A1 Methods of treating hormone-related conditions using thio-oxindole derivatives GPER1, OXTR, SHBG ESR1 22/4885ESR2 7/4885MEN1 482/4885
US-20120220558-A1 Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives OXTR, GNRHR, SHBG ESR1 9/4885ESR2 6/4885MEN1 485/4885
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives ESRRA, GNRHR, ESRRG ESR1 49/4885ESR2 9/4885MEN1 402/4885
US-20090099223-A1 METHODS OF TREATING HORMONE-RELATED CONDITIONS USING THIO-OXINDOLE DERIVATIVES OXTR, GNRHR, SHBG ESR1 9/4885ESR2 6/4885MEN1 485/4885

“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.