SCHEMBL24349770

SCHEMBL24349770

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ CYP4F2 P78329 3/20 0.38
▸ CYP4A11 Q02928 3/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ TDP2 O95551 4/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ TBXAS1 P24557 3/20 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
SCHEMBL24349317 0.94 LMNA (0.43) LMNAALDH1A1KDM4ETP53HPGD
SCHEMBL24349763 0.91 CYP1A2 (0.47) LMNAALDH1A1KDM4ETP53HPGD
SCHEMBL24350383 0.90 CYP1A2 (0.46) LMNAALDH1A1KDM4ETP53HPGD
SCHEMBL24349728 0.86 ALDH1A1 (0.40) LMNAALDH1A1KDM4EHTTHSD17B10
SCHEMBL24349771 0.86 LMNA (0.43) LMNAALDH1A1KDM4ETP53HPGD
SCHEMBL24350113 0.86 CYP1A2 (0.49) LMNAALDH1A1KDM4ETP53HPGD
SCHEMBL10008969 0.80 APEX1 (0.53) ALDH1A1SMN1; SMN2TSHRCYP4F2CYP4A11
SCHEMBL24349336 0.80 ALDH1A1 (0.42) LMNAALDH1A1KDM4EHTTHSD17B10
SCHEMBL24349764 0.80 CYP19A1 (0.40) LMNAALDH1A1KDM4EHTTHSD17B10
SCHEMBL24349729 0.80 APEX1 (0.51) ALDH1A1KDM4EHTTSMN1; SMN2TSHR

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 LMNA 3304/4885ALDH1A1 377/4885KDM4E 2174/4885

“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.

Send feedback