SCHEMBL3124255

SCHEMBL3124255

C=COC(C)c1cccc(C(C)OC=C)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
ACHE P22303 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
TP53 P04637 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MDM4 O15151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CA5A P35218 1/20 0.31
HTT P42858 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL3121199 0.91 KMT2A (0.40) KDM4EALDH1A1
SCHEMBL291361 0.84 HCAR2 (0.43) HCAR2KDM4EALDH1A1ADRA2BADRA2C
SCHEMBL8105843 0.84 HCAR2 (0.43) HCAR2KDM4EALDH1A1ADRA2BADRA2C
SCHEMBL3124949 0.81 TYR (0.31) HCAR2TYR
SCHEMBL17616807 0.79 UGT2B7 (0.52) CYP3A4ADRA2BADRA2C
SCHEMBL3870093 0.74 CHRNA7 (0.37) ACHETDP1
SCHEMBL3116759 0.72 NOS3 (0.37) HCAR2ALDH1A1
SCHEMBL7901293 0.72 HDAC4 (0.41) HDAC4HDAC8ACHETP53TDP1
SCHEMBL9634859 0.71
SCHEMBL29162692 0.69 TP53 (0.48) HDAC4HDAC8TP53TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732645-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-08 US disclosed
EP-2161248-A1 Aromatic vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2010-03-10 EP disclosed
US-7518021-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS IWAHAMA TAKAHIRO 2009-04-02 US disclosed
US-20040181098-A1 Aromatic vinyl ether compounds EMORY UNIVERSITY 2004-09-16 US disclosed
EP-1413568-A2 Aromatic vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2004-04-28 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-20040181098-A1 Aromatic vinyl ether compounds SUV39H2, SUV39H1, RAVER1 HDAC4 637/4885HDAC8 792/4885ACHE 4140/4885
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS SUV39H2, SUV39H1, RAVER1 HDAC4 605/4885HDAC8 555/4885ACHE 3755/4885

“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.