SCHEMBL21452201

SCHEMBL21452201

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
SLC6A4 P31645 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 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
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
PDE7A Q13946 1/20 0.34
CYP3A4 P08684 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL22731109 0.90 HDAC4 (0.49) HDAC4LMNAPOLBSLC6A4GRIN1
SCHEMBL21451907 0.90 HDAC4 (0.49) HDAC4LMNAPOLBSLC6A4GRIN1
SCHEMBL22727301 0.90 HDAC4 (0.49) HDAC4LMNAPOLBSLC6A4GRIN1
SCHEMBL31426693 0.88 HDAC4 (0.47) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL21452415 0.88 HDAC4 (0.47) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL21452207 0.86 GRIN1 (0.47) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL21451924 0.85 SCN9A (0.35) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL21451927 0.85 SCN9A (0.35) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL21452469 0.85 SCN9A (0.35) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL23490933 0.85 LMNA (0.34) HDAC4LMNAPOLBTAS1R3TAS1R1

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 2874/4885LMNA 3431/4885POLB 4108/4885

“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.