SCHEMBL3117282

SCHEMBL3117282

C=C(C)Oc1cc(OC(=C)C)cc(OC(=C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TTR P02766 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.31
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3123591 0.92 ABL1 (0.37) ALDH1A1KDM4EMEN1LMNATTR
SCHEMBL3108653 0.89 CYP3A4 (0.38) ALDH1A1MEN1TTRTP53CYP3A4
SCHEMBL3116230 0.85 CALM1 (0.38) CYP19A1
SCHEMBL3113566 0.84 BACE1 (0.40) ALDH1A1KDM4EMEN1LMNATTR
SCHEMBL3118616 0.83 ALOX15 (0.35) ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL15759397 0.82 CYP4F2 (0.44) TP53MAPT
SCHEMBL11144108 0.81 LMNA (0.44) ALDH1A1KDM4EMEN1LMNATTR
SCHEMBL17188986 0.80 LMNA (0.53) ALDH1A1KDM4EMEN1LMNATTR
SCHEMBL15759390 0.80 MAOB (0.35)
SCHEMBL10725365 0.73 LMNA (0.60) ALDH1A1KDM4EMEN1LMNACYP3A4

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 ALDH1A1 282/4885KDM4E 87/4885MEN1 4117/4885
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS SUV39H2, SUV39H1, RAVER1 ALDH1A1 494/4885KDM4E 76/4885MEN1 4466/4885

“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.