SCHEMBL3121853

SCHEMBL3121853

C=C(C)OC(C)(C)c1ccc(C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSD17B1 P14061 1/20 0.38
GAA P10253 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
ESRRA P11474 1/20 0.37
STS P08842 1/20 0.37
KIF11 P52732 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL3114544 0.87 SRD5A2 (0.50) KMT2AEPHX2NR1H4MEN1ALDH1A1
SCHEMBL3118521 0.86 ALDH1A1 (0.39) KMT2AHPGDMEN1ALDH1A1LMNA
SCHEMBL3126646 0.80 ALDH1A1 (0.35) HPGDALDH1A1LMNAKIF11
SCHEMBL3124942 0.80 ESR1 (0.44) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL3127822 0.79 LMNA (0.48) MAPTKMT2ARAB9AMEN1ALDH1A1
SCHEMBL3121762 0.79 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL3118620 0.79 TSHR (0.44) MAPTHPGDRAB9AALDH1A1LMNA
SCHEMBL11517109 0.79 ALDH1A1 (0.54) MAPTKMT2AHPGDRAB9AEPHX2
SCHEMBL3118008 0.77 ELANE (0.39) KMT2AEPHX2NR1H4MEN1ALDH1A1
SCHEMBL3108654 0.76 ALDH1A1 (0.56) MAPTKMT2AALDH1A1SMN1; SMN2HDAC1

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 2131/4885KMT2A 335/4885HPGD 2202/4885
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS SUV39H2, SUV39H1, RAVER1 MAPT 2199/4885KMT2A 362/4885HPGD 2410/4885

“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.