SCHEMBL24221027

SCHEMBL24221027

COc1cccc(/C=C/c2ccc(F)cc2)c1C

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 15/20 0.73
▸ TRPA1 O75762 1/20 0.56
▸ CYP19A1 P11511 1/20 0.54
▸ CYP1A1 P04798 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP1B1 Q16678 2/20 0.51
▸ NQO2 P16083 1/20 0.50
▸ RELA Q04206 1/20 0.50

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
SCHEMBL28703245 0.86 NFE2L2 (0.76) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL31689790 0.85 NFE2L2 (0.55) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL31689795 0.85 NFE2L2 (0.55) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL20995869 0.85 NFE2L2 (1.00) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL20995868 0.85 NFE2L2 (1.00) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL26746210 0.78 NQO2 (0.65) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL9168164 0.77 NFE2L2 (0.88) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL9168170 0.77 NFE2L2 (0.88) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL28715871 0.75 NFE2L2 (0.76) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2
SCHEMBL15641649 0.75 NFE2L2 (0.65) NFE2L2TRPA1CYP19A1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE TRUJILLO KRISTINA (US) 2022-01-27 — — US 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 (1 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-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE NFKBIA, IKBKB, NFKB2 NFE2L2 9/4885TRPA1 605/4885CYP19A1 249/4885

“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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