SCHEMBL24349729

SCHEMBL24349729

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CDC25B P30305 2/20 0.40
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ SHMT2 P34897 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ AGER Q15109 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ TBXAS1 P24557 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
SCHEMBL24349323 0.93 APEX1 (0.59) APEX1KDM4ETDP1CDC25BTSHR
SCHEMBL24349723 0.90 APEX1 (0.60) APEX1KDM4ETDP1CDC25BTSHR
SCHEMBL24349727 0.83 KDM4E (0.43) APEX1KDM4ETDP1CDC25BTSHR
SCHEMBL24350118 0.83 APEX1 (0.69) APEX1KDM4ETDP1CDC25BTSHR
SCHEMBL24349728 0.82 ALDH1A1 (0.40) APEX1KDM4ETDP1HTTALDH1A1
SCHEMBL24349764 0.82 CYP19A1 (0.40) APEX1KDM4ETDP1TSHRHTT
SCHEMBL24349770 0.80 LMNA (0.41) KDM4ETSHRHTTALDH1A1CYP1A2
SCHEMBL15691574 0.76 APEX1 (0.86) APEX1TDP1TSHRALDH1A1BLM
SCHEMBL24349336 0.75 ALDH1A1 (0.42) APEX1KDM4ETDP1TSHRHTT
SCHEMBL29153332 0.75 APEX1 (0.49) APEX1KDM4ECDC25BTSHRHTT

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 2356/4885KDM4E 2174/4885TDP1 1762/4885

“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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