SCHEMBL21452482

SCHEMBL21452482

CC(C)(C)OC(=O)NC1(c2cccc(F)c2C(F)(F)F)CCCC(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.40
P2RX7 Q99572 1/20 0.37
CYP3A4 P08684 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HDAC4 P56524 3/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
RORC P51449 2/20 0.32
KDM1A O60341 3/20 0.31
HCRTR1 O43613 3/20 0.31
GPR119 Q8TDV5 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL21452175 0.89 HDAC4 (0.39) SCN9AP2RX7CYP3A4DDB1CRBN
SCHEMBL21451903 0.87 DDB1 (0.36) SCN9ADDB1CRBNHDAC4RORC
SCHEMBL21452452 0.86 LMNA (0.38) SCN9AP2RX7DDB1CRBNHDAC4
SCHEMBL22727639 0.85 LMNA (0.42) SCN9AP2RX7CYP3A4SCN10ADDB1
SCHEMBL21451908 0.85 LMNA (0.42) SCN9AP2RX7CYP3A4SCN10ADDB1
SCHEMBL21451934 0.84 SCN9A (0.41) SCN9AP2RX7CYP3A4SCN10AHDAC4
SCHEMBL21452206 0.83 DRD2 (0.35) P2RX7DDB1CRBNHDAC4LMNA
SCHEMBL21452195 0.83 SCN9A (0.35) SCN9ADDB1CRBNRORCHCRTR1
SCHEMBL21452471 0.83 SCN9A (0.35) SCN9ADDB1CRBNRORCHCRTR1
SCHEMBL21452397 0.81 HDAC4 (0.37) DDB1CRBNHDAC4KDM1A

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 SCN9A 3167/4885P2RX7 1048/4885CYP3A4 174/4885

“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.