SCHEMBL24450370

SCHEMBL24450370

C=CCC(=O)c1ccc2c(c1)C(C)(C)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.41
▸ CDYL2 Q8N8U2 1/20 0.37
▸ CDYL Q9Y232 1/20 0.37
▸ CDY1; CDY1B Q9Y6F8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL18235870 0.82 PDK2 (0.45) PDK2MAPTSMN1; SMN2
SCHEMBL5215126 0.81 PTPN1 (0.49) PDK2
SCHEMBL9886708 0.79 PDK2 (0.55) PDK2TDP1
SCHEMBL16271512 0.79 PDK2 (0.49) PDK2TDP1
SCHEMBL13269073 0.77 PDK2 (0.53) PDK2PKMKMT2ATDP1
SCHEMBL30705226 0.77 PDK2 (0.63) PDK2ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL30340691 0.77 PDK2 (0.53) PDK2PKMKMT2ATDP1
SCHEMBL236472 0.77 PDK2 (0.63) PDK2ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL22440859 0.76 PDK2 (0.61) PDK2MEN1KMT2A
SCHEMBL13045515 0.76 PDK2 (0.52) 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-20220165963-A1 ORGANIC COMPOUND, USE THEREOF AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-05-26 — — 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-20220165963-A1 ORGANIC COMPOUND, USE THEREOF AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME ARL1, ORC3, EML4 PDK2 2195/4885CDYL2 187/4885CDYL 432/4885

“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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