SCHEMBL21168758

SCHEMBL21168758

CCCCC1(CCCC)c2ccccc2-c2ccc(C(=O)c3ccccc3C)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ APEX1 P27695 1/20 0.40
▸ MAPK13 O15264 2/20 0.39
▸ MAPK12 P53778 2/20 0.39
▸ MAPK11 Q15759 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL17084351 0.93 ALDH1A1 (0.42) PDK2ALDH1A1HTTAPEX1MAPK13
SCHEMBL21025504 0.88 ALDH1A1 (0.44) PDK2ALDH1A1HTTAPEX1MAPK13
SCHEMBL28635928 0.86 PDK2 (0.39) PDK2APEX1CNR2
SCHEMBL17084352 0.84 PDK2 (0.42) PDK2ALDH1A1HTTMAPK13MAPK12
SCHEMBL30266914 0.84 PDK2 (0.42) PDK2ALDH1A1HTTMAPK13MAPK12
SCHEMBL17084309 0.84 ALDH1A1 (0.36) PDK2ALDH1A1HTTMAPK13MAPK12
SCHEMBL21025031 0.83 ALDH1A1 (0.47) PDK2ALDH1A1HTTMAPK13MAPK12
SCHEMBL21183152 0.83 NAAA (0.38) PDK2ALDH1A1HTTMAPK13MAPK12
SCHEMBL21024709 0.83 ALDH1A1 (0.41) ALDH1A1HTT
SCHEMBL16477967 0.83 CNR2 (0.39) ALDH1A1HTTMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995082-B2 Cationic photoinitiator and preparation method and use thereof CHANGZHOU TRONLY NEW ELECTRONIC MATERIALS CO., LTD. (CN) 2021-05-04 — — US disclosed
US-20190218199-A1 NOVEL CATIONIC PHOTOINITIATOR AND PREPARATION METHOD AND USE THEREOF CHANGZHOU TRONLY ADVANCED ELECTRONIC MATERIALS CO., LTD. (CN) 2019-07-18 — — 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 (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-10995082-B2 Cationic photoinitiator and preparation method and use thereof SLC11A2, SLC7A1, PPOX PDK2 1523/4885ALDH1A1 3153/4885HTT 1956/4885
US-20190218199-A1 NOVEL CATIONIC PHOTOINITIATOR AND PREPARATION METHOD AND USE THEREOF SLC11A2, SLC7A1, PPOX PDK2 1368/4885ALDH1A1 2798/4885HTT 2128/4885

“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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