SCHEMBL2561341

SCHEMBL2561341

COc1ccc(C=CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 3/20 0.64
MAPT P10636 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
THRB P10828 1/20 0.62
ATM Q13315 1/20 0.62
ESR1 P03372 1/20 0.60
GSK3B P49841 2/20 0.60
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
BACE1 P56817 1/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GAA P10253 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54

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
SCHEMBL2561337 1.00 F3 (0.64) F3MAPTMEN1KMT2ATHRB
Acrylic Acid SCHEMBL28155059 0.91 THRB (0.60) F3MAPTMEN1KMT2ATHRB
SCHEMBL13845314 0.89 CA12 (0.53) F3MAPTMEN1KMT2ATHRB
SCHEMBL4055672 0.89 CA12 (0.53) F3MAPTMEN1KMT2ATHRB
SCHEMBL4055668 0.89 CA12 (0.53) F3MAPTMEN1KMT2ATHRB
SCHEMBL1399888 0.88 ESR1 (0.59) F3MAPTMEN1KMT2ATHRB
SCHEMBL4548370 0.88 ESR1 (0.59) F3MAPTMEN1KMT2ATHRB
SCHEMBL19244300 0.87 ESR1 (0.51) F3MAPTMEN1KMT2ATHRB
SCHEMBL19244302 0.87 ESR1 (0.51) F3MAPTMEN1KMT2ATHRB
SCHEMBL10079597 0.85 KMT2A (0.52) F3MAPTMEN1KMT2ATHRB

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
CN-101194878-B Compressed powder composition OREAL 2012-10-31 CN claimed
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP disclosed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US disclosed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US disclosed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP disclosed
US-20130053566-A1 CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-02-28 US disclosed
CN-101194878-B Compressed powder composition OREAL 2012-10-31 CN disclosed
WO-2011127579-A1 CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-10-20 WO disclosed
CN-101194878-A Compressed powder composition OREAL (FR) 2008-06-11 CN disclosed
EP-1368287-B1 PROCESS FOR A HOMOGENEOUSLY CATALYZED C-C COUPLING REACTION DSM IP ASSETS BV (NL) 2008-03-26 EP disclosed
US-6342627-B1 ESTER INTERCHANGE WITH ALCOHOL IN THE PRESENCE OF LANTHANOIDE METAL ALKOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-29 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 (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-20130053566-A1 CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS MLX, LBR, LRRK2 F3 1741/4885MAPT 4116/4885MEN1 2931/4885

“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.