SCHEMBL24349730

SCHEMBL24349730

CC(CC1(CC2(CC(C)C(=O)O)c3ccccc3-c3ncccc32)c2ccccc2-c2ncccc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ APEX1 P27695 1/20 0.36
▸ PTPRC P08575 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ PTPN13 Q12923 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CDC25B P30305 2/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33

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
SCHEMBL24350121 0.95 PDK2 (0.52) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349726 0.86 PDK2 (0.47) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349768 0.86 PDK2 (0.44) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349767 0.85 PDK2 (0.46) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349339 0.85 PDK2 (0.41) PDK2CYP1A2CYP2C19KMT2ANPSR1
SCHEMBL15691740 0.85 APEX1 (0.49) PDK2CYP1A2CYP2C19KMT2AAPEX1
SCHEMBL24350114 0.81 PDK2 (0.49) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349762 0.81 PDK2 (0.46) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24350115 0.80 PDK2 (0.48) PDK2CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349733 0.80 KMT2A (0.49) PDK2CYP1A2CYP2C19KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988599-B1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEM CORP (JP) 2023-10-18 — — EP disclosed
EP-3988599-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND Mitsubishi Chemical Corporation (JP) 2022-04-27 — — EP disclosed
US-20220081510-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-17 — — 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-20220081510-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND RTF1, RNF10, RAD51 PDK2 3967/4885CYP1A2 298/4885CYP2C19 1474/4885

“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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