SCHEMBL23457679

SCHEMBL23457679

COc1cc(C)cc(OC=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 3/20 0.43
ACHE P22303 2/20 0.40
CYP3A4 P08684 3/20 0.37
ESR1 P03372 2/20 0.36
NQO2 P16083 2/20 0.36
CYP1A2 P05177 2/20 0.36
ABL1 P00519 1/20 0.36
TTR P02766 1/20 0.36
ABCB1 P08183 1/20 0.36
ALOX5 P09917 1/20 0.36
BCR P11274 1/20 0.36
CYP19A1 P11511 1/20 0.36
PTGS2 P35354 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
AHR P35869 1/20 0.36
TUBA1B P68363 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
SCHEMBL29640516 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1ACHECYP3A4
SCHEMBL16079851 0.91 ALDH1A1 (0.41) ALDH1A1ACHECYP3A4ERN1KDM4E
SCHEMBL2092735 0.91 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP3A4ESR1
SCHEMBL1190708 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4ERN1MAPTHPGD
SCHEMBL21726722 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1ESR1NQO2
SCHEMBL12501 0.81 ALDH1A1 (0.73) ALDH1A1CYP1A1CYP1B1ACHECYP3A4
SCHEMBL18573171 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27618726 0.78 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1NQO2TDP1
SCHEMBL8804437 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1ACHECYP3A4
SCHEMBL17898604 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4ERN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12252465-B2 Enol ether properfume FIRMENICH SA (CH) 2025-03-18 US disclosed
US-20240059640-A1 Enol Ether Properfume FIRMENICH SA (CH) 2024-02-22 US disclosed
EP-4007748-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2022-06-08 EP disclosed
CN-114502704-A Enol ether pro-fragrances 弗门尼舍有限公司 2022-05-13 CN disclosed
WO-2021110680-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2021-06-10 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 (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-12252465-B2 Enol ether properfume CYP2E1, ETFB, ECI1 ALDH1A1 111/4885CYP1A1 25/4885CYP1B1 118/4885
US-20240059640-A1 Enol Ether Properfume CYP2E1, ETFB, ECI1 ALDH1A1 111/4885CYP1A1 25/4885CYP1B1 118/4885

“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.