SCHEMBL23805906

SCHEMBL23805906

CCC(Cl)C(=O)c1ccc2c(c1)C(C)(C)c1cc(F)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ MPL P40238 1/20 0.34
▸ PDK2 Q15119 7/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ AKR1A1 P14550 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL23805903 0.83 MEN1 (0.39) MPLPDK2ROCK2AKR1A1AKR1B1
SCHEMBL23805923 0.78 HTR7 (0.46) MPLHTR7
SCHEMBL10371936 0.77 SLC6A2 (0.46) HDAC1HTR7
Ethylene SCHEMBL11105901 0.75 SLC6A2 (0.44) HDAC1HTR7
Ethylene Glycol SCHEMBL11284362 0.73 SLC6A2 (0.43) HDAC1HTR7
SCHEMBL23805902 0.71 PDK2 (0.41) PDK2PKM
SCHEMBL14073390 0.71 PDK2 (0.44) PDK2ROCK2
SCHEMBL5954249 0.69 ALDH1A1 (0.38) PDK2HTR7
SCHEMBL23805896 0.67 PDK2 (0.34) PDK2
SCHEMBL21439836 0.67 RARB (0.46) PDK2

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-11118065-B2 Fluorenylaminoketone photoinitiator, preparation method thereof, and UV photocurable composition containing same CHANGZHOU TRONLY ADVANCED ELECTRONIC MATERIALS CO., LTD. (CN) 2021-09-14 — — 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-11118065-B2 Fluorenylaminoketone photoinitiator, preparation method thereof, and UV photocurable composition containing same TRPA1, TYR, PKLR HDAC1 2317/4885HDAC6 1900/4885MPL 3901/4885

“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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