SCHEMBL21451950

SCHEMBL21451950

CC(C)(C)OC(=O)NC1(c2cc(F)cc(F)c2F)CCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.39
RIPK1 Q13546 3/20 0.33
PPIA P62937 2/20 0.33
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
GRIN2B Q13224 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
BDKRB1 P46663 3/20 0.31
RORC P51449 1/20 0.31
P2RX7 Q99572 1/20 0.31
SLC6A4 P31645 2/20 0.31
OPRK1 P41145 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
CACNA1C Q13936 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL21452458 0.87 HDAC4 (0.36) HDAC4PPIAGRIN1GRIN2AGRIN2B
SCHEMBL25381097 0.87 HDAC4 (0.36) HDAC4PPIAGRIN1GRIN2AGRIN2B
SCHEMBL21452415 0.84 HDAC4 (0.47) HDAC4GRIN1GRIN2AGRIN2BSLC6A4
SCHEMBL31426693 0.84 HDAC4 (0.47) HDAC4GRIN1GRIN2AGRIN2BSLC6A4
SCHEMBL21451948 0.83 RIPK1 (0.33) HDAC4RIPK1DPP8DPP9BDKRB1
SCHEMBL21451947 0.83 DPP8 (0.33) RIPK1DPP8DPP9BDKRB1RORC
SCHEMBL23002201 0.81 BDKRB1 (0.35) HDAC4PPIAGRIN1GRIN2AGRIN2B
SCHEMBL21452505 0.81 GRIN1 (0.38) GRIN1GRIN2AGRIN2BBDKRB1P2RX7
SCHEMBL21451917 0.80 GRIN1 (0.40) GRIN1GRIN2AGRIN2BBDKRB1P2RX7
SCHEMBL21451939 0.79 HDAC4 (0.36) HDAC4PPIAGRIN1GRIN2AGRIN2B

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 2874/4885RIPK1 4508/4885PPIA 2275/4885

“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.