SCHEMBL21178262

SCHEMBL21178262

O=[C]Oc1cccc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
NSD2 O96028 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CACNA2D1 P54289 7/20 0.41
NR3C1 P04150 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL21178063 0.86 TNF (0.45) KCNA3LMNAKDM4ECYP3A4CYP2D6
SCHEMBL6283416 0.79 KCNA3 (0.57) KCNA3LMNAKDM4ECYP3A4CYP2D6
SCHEMBL21178054 0.79 ADRA2A (0.41) KCNA3KDM4ECYP3A4CYP2D6CYP1A2
SCHEMBL2945 0.77 ALDH1A1 (0.47) KCNA3KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL3994903 0.77 KCNA3 (0.51) KCNA3LMNAKDM4ECYP3A4CYP2D6
SCHEMBL96458 0.77 KCNA3 (0.54) KCNA3LMNAKDM4ECYP3A4CYP2D6
SCHEMBL96459 0.77 MAPT (0.58) KCNA3LMNAKDM4ECYP3A4CYP2D6
SCHEMBL27748886 0.76 KCNA3 (0.50) KCNA3LMNAKDM4ECYP3A4CYP2D6
SCHEMBL419729 0.75 KCNA3 (0.53) KCNA3LMNAKDM4ECYP3A4CYP2D6
SCHEMBL5998660 0.73 KDM4E (0.50) KCNA3LMNAKDM4ECYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
US-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES PASCAL BIOSCIENCES INC (CA) 2023-08-31 US disclosed
WO-2022006498-A1 METHOD OF TREATING CORONAVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES PASCAL BIOSCIENCES INC. (CA) 2022-01-06 WO disclosed
US-20210038559-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2021-02-11 US disclosed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP disclosed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO 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 (2 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-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES CNR1, CNR2, SARS1 KCNA3 1715/4885LMNA 3037/4885KDM4E 1163/4885
US-20210038559-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS CNR1, CNR2, CD74 KCNA3 2684/4885LMNA 4286/4885KDM4E 2377/4885

“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.