SCHEMBL21451902

SCHEMBL21451902

CC(C)(C)OC(=O)NC1(c2c(F)cccc2F)CCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.40
PPIA P62937 2/20 0.36
SLC6A4 P31645 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
LMNA P02545 2/20 0.36
OPRK1 P41145 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
OPRM1 P35372 1/20 0.36
GRIN2B Q13224 1/20 0.36
CACNA1C Q13936 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
GHSR Q92847 1/20 0.36
P2RX7 Q99572 1/20 0.35
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BDKRB1 P46663 1/20 0.34

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
SCHEMBL21451939 0.90 HDAC4 (0.36) HDAC4PPIASLC6A4GRIN1GRIN2A
SCHEMBL21452458 0.89 HDAC4 (0.36) HDAC4PPIAGRIN1GRIN2AGRIN2B
SCHEMBL25381097 0.89 HDAC4 (0.36) HDAC4PPIAGRIN1GRIN2AGRIN2B
SCHEMBL21452415 0.88 HDAC4 (0.47) HDAC4SLC6A4GRIN1GRIN2ALMNA
SCHEMBL31426693 0.88 HDAC4 (0.47) HDAC4SLC6A4GRIN1GRIN2ALMNA
SCHEMBL23490933 0.85 LMNA (0.34) HDAC4PPIALMNAGHSRP2RX7
SCHEMBL21451934 0.85 SCN9A (0.41) HDAC4SLC6A4GRIN1GRIN2ALMNA
SCHEMBL21452112 0.83 CYP2C19 (0.41) PPIASLC6A4LMNAOPRM1P2RX7
SCHEMBL21452392 0.82 RORC (0.43) PPIASLC6A4GRIN1GRIN2AOPRK1
SCHEMBL26451008 0.82 SLC6A4 (0.40) HDAC4PPIASLC6A4GRIN1GRIN2A

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 HDAC4 2874/4885PPIA 2275/4885SLC6A4 64/4885

“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.