SCHEMBL6439644

SCHEMBL6439644

CCc1ccc2ncccc2c1CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 3/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
ERN1 O75460 1/20 0.41
NCOA1 Q15788 2/20 0.40
CYP1B1 Q16678 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
POLB P06746 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
SCHEMBL16300444 0.81 MAPT (0.54) MAPTKDM4ECYP1A2TSHRCYP3A4
SCHEMBL22253024 0.81 MAPT (0.54) MAPTKDM4ECYP1A2TSHRCYP3A4
SCHEMBL20669685 0.80 MAPT (0.52) MAPTKDM4ECYP1A2TSHRCYP3A4
SCHEMBL18801067 0.80 MAPT (0.59) MAPTKDM4ECYP1A2TSHRCYP3A4
SCHEMBL13676648 0.80 MAPT (0.52) MAPTKDM4ECYP1A2TSHRCYP3A4
SCHEMBL1464159 0.80 MAPT (0.59) MAPTKDM4ECYP1A2TSHRCYP3A4
SCHEMBL23742574 0.79 MAPT (0.50) MAPTKDM4ECYP1A2TSHRCYP3A4
SCHEMBL763204 0.79 MAPT (0.54) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL22792905 0.77 MAPT (0.48) MAPTKDM4ECYP1A2TSHRCYP3A4
SCHEMBL19448212 0.77 MAPT (0.48) MAPTKDM4ECYP1A2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds OREGON STATE UNIVERSITY (US) 2023-07-25 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-20220009944-A1 ANALOGUES AND DERIVATIVES OF CEPHALOTAXINE AND METHODS FOR MAKING AND USING THE COMPOUNDS OREGON STATE UNIVERSITY (US) 2022-01-13 US disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 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-20220009944-A1 ANALOGUES AND DERIVATIVES OF CEPHALOTAXINE AND METHODS FOR MAKING AND USING THE COMPOUNDS SLC6A2, NAPRT, SLC6A3 MAPT 3705/4885KDM4E 1050/4885CYP1A2 255/4885
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds SLC6A2, NAPRT, SLC6A3 MAPT 3705/4885KDM4E 1050/4885CYP1A2 255/4885

“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.