SCHEMBL24075603

SCHEMBL24075603

COc1cc2ccc(=O)oc2c(CC=C(C)C)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.78
▸ ALDH1A1 P00352 5/20 0.73
▸ CYP3A4 P08684 3/20 0.73
▸ PTGS2 P35354 2/20 0.73
▸ ABCB1 P08183 2/20 0.73
▸ XPO1 O14980 2/20 0.73
▸ ALOX5 P09917 1/20 0.73
▸ GABRA1 P14867 1/20 0.73
▸ GABRB2 P47870 1/20 0.73
▸ MAOA P21397 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ HSD17B10 Q99714 4/20 0.64
▸ CASP1 P29466 3/20 0.64
▸ CASP7 P55210 3/20 0.64
▸ MAPT P10636 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CA12 O43570 5/20 0.63

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
SCHEMBL16352043 0.88 KDM4E (1.00) KDM4EALDH1A1CYP3A4PTGS2ABCB1
Osthole SCHEMBL50436 0.84 PTGS2 (1.00) KDM4EALDH1A1CYP3A4PTGS2ABCB1
Osthole SCHEMBL29595542 0.84 PTGS2 (1.00) KDM4EALDH1A1CYP3A4PTGS2ABCB1
Osthole SCHEMBL17513161 0.84 PTGS2 (1.00) KDM4EALDH1A1CYP3A4PTGS2ABCB1
Osthole SCHEMBL27681201 0.83 PTGS2 (0.97) KDM4EALDH1A1CYP3A4PTGS2ABCB1
Osthole SCHEMBL27950752 0.83 PTGS2 (0.97) KDM4EALDH1A1CYP3A4PTGS2ABCB1
SCHEMBL14316132 0.83 CA9 (0.71) KDM4EALDH1A1CYP3A4PTGS2ABCB1
Osthole SCHEMBL27803504 0.81 PTGS2 (0.92) KDM4EALDH1A1CYP3A4PTGS2ABCB1
SCHEMBL30379956 0.80 PDE4D (0.81) KDM4EALDH1A1CYP3A4PTGS2ABCB1
Osthole SCHEMBL27659943 0.80 PTGS2 (0.90) KDM4EALDH1A1CYP3A4PTGS2ABCB1

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-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 — — US disclosed
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 — — US disclosed
US-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2023-04-13 — — US disclosed
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-09 — — US disclosed
WO-2021237371-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-02 — — 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-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR KDM4E 2010/4885ALDH1A1 52/4885CYP3A4 151/4885
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR KDM4E 2010/4885ALDH1A1 52/4885CYP3A4 151/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR KDM4E 2010/4885ALDH1A1 52/4885CYP3A4 151/4885

“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.

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