SCHEMBL21452476

SCHEMBL21452476

NC1(c2cccc(C(F)(F)F)c2F)CCCCC1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.42
HDAC4 P56524 2/20 0.42
MPL P40238 3/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
SLC6A4 P31645 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
OPRK1 P41145 1/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 1/20 0.33
CACNA1C Q13936 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HSD11B1 P28845 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL21452547 0.87 HDAC4 (0.51) PDE7AHDAC4GRIN1GRIN2ASLC6A4
SCHEMBL23595809 0.87 HDAC4 (0.51) PDE7AHDAC4GRIN1GRIN2ASLC6A4
SCHEMBL23595847 0.87 HDAC4 (0.51) PDE7AHDAC4GRIN1GRIN2ASLC6A4
SCHEMBL21452495 0.82 HDAC4 (0.50) PDE7AHDAC4GRIN1GRIN2ASLC6A4
SCHEMBL30207561 0.82 HDAC4 (0.50) PDE7AHDAC4GRIN1GRIN2ASLC6A4
SCHEMBL21452481 0.81 HDAC4 (0.37) PDE7AHDAC4GRIN1GRIN2ASLC6A4
SCHEMBL23490932 0.81 AR (0.35) PDE7AHDAC4
SCHEMBL21452196 0.80 MPL (0.37) HDAC4MPLGRIN1GRIN2ASLC6A4
SCHEMBL21452197 0.80 MPL (0.37) HDAC4MPLGRIN1GRIN2ASLC6A4
SCHEMBL21451925 0.80 MPL (0.37) HDAC4MPLGRIN1GRIN2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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 (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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT PDE7A 1368/4885HDAC4 2874/4885MPL 2975/4885

“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.