SCHEMBL21596579

SCHEMBL21596579

C(=C/c1ccccc1)\OCCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
CHRNA7 P36544 9/20 0.49
CHRNB4 P30926 4/20 0.49
CHRNA3 P32297 4/20 0.49
CHRNA10 Q9GZZ6 2/20 0.49
CHRNA9 Q9UGM1 2/20 0.49
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6322967 1.00 KCNA3 (0.50) KCNA3CHRNA7CHRNB4CHRNA3CHRNA10
Water SCHEMBL9515038 0.93 CHRNA7 (0.44) KCNA3CHRNA7CHRNB4CHRNA3CHRNA10
SCHEMBL13686299 0.88 MAOB (0.48) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL18087646 0.82 RELA (0.48) KCNA3CHRNA7CHRNB4CHRNA3CHRNA10
SCHEMBL17736104 0.82 RELA (0.48) KCNA3CHRNA7CHRNB4CHRNA3CHRNA10
SCHEMBL13899907 0.79 RELA (0.55) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL13686297 0.78 ALDH1A1 (0.39) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL8093709 0.78 MEN1 (0.50) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL25251262 0.76 MAOB (0.41) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL2098848 0.76 RELA (0.46) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9

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-20230257678-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2023-08-17 US disclosed
EP-3746420-B1 ENOL ETHER PROPERFUME FIRMENICH & CIE (CH) 2023-08-16 EP disclosed
US-11667869-B2 Enol ether pro perfume FIRMENICH SA (CH) 2023-06-06 US disclosed
US-20210115354-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2021-04-22 US disclosed
EP-3746420-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2020-12-09 EP disclosed
WO-2019243501-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2019-12-26 WO 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 (3 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-11667869-B2 Enol ether pro perfume CYP2E1, ACADM, PEF1 KCNA3 2058/4885CHRNA7 2432/4885CHRNB4 2176/4885
US-20230257678-A1 ENOL ETHER PROPERFUME CYP2E1, ADH5, ECI1 KCNA3 1176/4885CHRNA7 2343/4885CHRNB4 2676/4885
US-20210115354-A1 ENOL ETHER PROPERFUME CYP2E1, ACADM, ALDH5A1 KCNA3 2645/4885CHRNA7 3366/4885CHRNB4 3602/4885

“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.