SCHEMBL24350385

SCHEMBL24350385

O=C(CCC1(CC2(CC3(CCC(=O)Oc4ccccc4)c4ccccc4-c4ncccc43)c3ccccc3-c3ncccc32)C2=CCCC=C2c2ncccc21)Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDK2 Q15119 2/20 0.32
▸ TDP2 O95551 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL24372236 0.90 APEX1 (0.42) APEX1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349774 0.89 APEX1 (0.43) APEX1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349725 0.89 CYP1A2 (0.37) APEX1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349755 0.85 APEX1 (0.48) APEX1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349764 0.82 CYP19A1 (0.40) APEX1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24350123 0.82 CYP19A1 (0.36) CYP1A2CYP2C19KMT2ALMNAGAA
SCHEMBL29317430 0.79 APEX1 (0.44) APEX1KMT2APDK2CYP19A1
SCHEMBL24372294 0.78 CYP1A2 (0.43) APEX1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24349754 0.78 CYP19A1 (0.42) APEX1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL17022516 0.78 APEX1 (0.55) APEX1CYP1A2KMT2ALMNAPDK2

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-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 APEX1 2356/4885CYP1A2 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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