SCHEMBL21596632

SCHEMBL21596632

CC(=COCCc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
S1PR1 P21453 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL21596605 0.90 GPR52 (0.46) ALDH1A1ESR1ESR2NPC1RAB9A
SCHEMBL21596563 0.88 NPC1 (0.54) ALDH1A1NPC1RAB9ATDP1GPR52
SCHEMBL30118440 0.85 NPC1 (0.51) NPC1RAB9AS1PR1L3MBTL1KMT2A
SCHEMBL21596619 0.83 GPR52 (0.47) TDP1GPR52KDM4E
SCHEMBL23244088 0.81 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ATDP1L3MBTL1
SCHEMBL23075202 0.81 SMN1; SMN2 (0.41) ALDH1A1TDP1L3MBTL1KDM4EKMT2A
SCHEMBL23244090 0.81 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ATDP1L3MBTL1
SCHEMBL23075119 0.81 LMNA (0.47) ALDH1A1TDP1L3MBTL1KDM4EKMT2A
SCHEMBL22723011 0.81 SMN1; SMN2 (0.41) ALDH1A1TDP1L3MBTL1KDM4EKMT2A
SCHEMBL22723009 0.81 SMN1; SMN2 (0.41) ALDH1A1TDP1L3MBTL1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936457-B Enol ether pro-fragrances 弗门尼舍有限公司 2025-02-25 CN disclosed
EP-4139274-B1 ENOL ETHER PROPERFUME FIRMENICH & CIE (CH) 2024-02-14 EP disclosed
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 ALDH1A1 96/4885HCAR2 2597/4885ESR1 662/4885
US-20230257678-A1 ENOL ETHER PROPERFUME CYP2E1, ADH5, ECI1 ALDH1A1 44/4885HCAR2 1478/4885ESR1 1034/4885
US-20210115354-A1 ENOL ETHER PROPERFUME CYP2E1, ACADM, ALDH5A1 ALDH1A1 46/4885HCAR2 2396/4885ESR1 736/4885

“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.