SCHEMBL21451597

SCHEMBL21451597

COCc1ccccc1C1(c2ccccc2COC)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.49
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KCNN4 O15554 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ITGA4 P13612 1/20 0.33
IDO1 P14902 2/20 0.32
PDE4D Q08499 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL734879 0.77 KCNN4 (0.46) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL10076748 0.76 ESR1 (0.50) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL19002147 0.74 MEN1 (0.52) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL3423319 0.74 PDK2 (0.50) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL29830420 0.74 PDK2 (0.46) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL15283116 0.74 DPP4 (0.48) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL648491 0.73 IDO1 (0.44) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL44942 0.73 KMT2A (0.56) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL29355276 0.73 KMT2A (0.56) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL18100879 0.73 ESR1 (0.54) PDK2MAPTMEN1KMT2AKDM4E

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
US-11213550-B2 Cell preparation for treating cartilage tissue-related disorder NIPPON SHOKUBAI CO., LTD. (JP) 2022-01-04 US disclosed
US-20190307807-A1 CELL PREPARATION NIPPON SHOKUBAI CO., LTD. (JP) 2019-10-10 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 (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-11213550-B2 Cell preparation for treating cartilage tissue-related disorder COL2A1, MATR3, ADAMTS1 PDK2 1234/4885MAPT 2431/4885MEN1 3282/4885
US-20190307807-A1 CELL PREPARATION COL2A1, MATR3, COL1A1 PDK2 1275/4885MAPT 2605/4885MEN1 3545/4885

“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.