SCHEMBL24349728

SCHEMBL24349728

COC(=O)CCC1(CC2(CCC(=O)OC)c3cccnc3-c3ncccc32)c2cccnc2-c2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ESRRB O95718 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL24349336 0.94 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAESRRBKMT2A
SCHEMBL24372159 0.91 KMT2A (0.46) ALDH1A1SMN1; SMN2LMNAESRRBKMT2A
SCHEMBL24350382 0.90 KMT2A (0.45) ALDH1A1SMN1; SMN2LMNAESRRBKMT2A
SCHEMBL24349770 0.86 LMNA (0.41) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL24349732 0.85 TP53 (0.39) ALDH1A1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL24350119 0.85 KMT2A (0.48) ALDH1A1SMN1; SMN2LMNAESRRBKMT2A
SCHEMBL24372161 0.84 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24349764 0.82 CYP19A1 (0.40) ALDH1A1LMNAKMT2AMAPTHTT
SCHEMBL24349729 0.82 APEX1 (0.51) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL24349317 0.80 LMNA (0.43) ALDH1A1SMN1; SMN2LMNAKMT2AHTT

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
EP-3988599-B1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEM CORP (JP) 2023-10-18 — — 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 ALDH1A1 377/4885SMN1; SMN2 3641/4885LMNA 3304/4885

“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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