SCHEMBL3122010

SCHEMBL3122010

C=C(C)Oc1cc(O)ccc1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
MAPK1 P28482 3/20 0.58
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
ELANE P08246 5/20 0.53
LMNA P02545 4/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49

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
SCHEMBL27441824 0.90 MAPT (0.57) MAPTMAPK1ESR1ESR2KMT2A
SCHEMBL27850225 0.89 MAPT (0.72) MAPTMAPK1ESR1ESR2KMT2A
SCHEMBL3120551 0.85 MAPT (0.76) MAPTMAPK1KMT2AMEN1ELANE
SCHEMBL27487973 0.82 HPGD (0.52) MAPTMAPK1ESR1ESR2KMT2A
SCHEMBL7939201 0.81 MAPT (0.64) MAPTMAPK1ESR1ESR2KMT2A
SCHEMBL29144701 0.81 MAPT (0.51) MAPTMAPK1ESR1ESR2KMT2A
SCHEMBL29060319 0.81 ESR1 (0.55) MAPTMAPK1ESR1ESR2KMT2A
SCHEMBL3113752 0.79 HPGD (0.68) MAPTMAPK1KMT2AMEN1USP2
SCHEMBL3115035 0.78 KMT2A (0.57) MAPTMAPK1ESR1ESR2KMT2A
SCHEMBL10697267 0.77 MEN1 (0.60) MAPTMAPK1ESR1ESR2KMT2A

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 MAPT 2131/4885MAPK1 2088/4885ESR1 1073/4885
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS SUV39H2, SUV39H1, RAVER1 MAPT 2199/4885MAPK1 3015/4885ESR1 880/4885

“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.