SCHEMBL21452533

SCHEMBL21452533

CC(C)(C)OC(=O)NC1(c2ccc(F)cc2C(F)(F)F)CCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
HDAC4 P56524 3/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
RORC P51449 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 4/20 0.33
PPIA P62937 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
CETP P11597 2/20 0.32
GAA P10253 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
SCHEMBL22727301 0.86 HDAC4 (0.49) SCN9ASCN10AHDAC4GRIN1GRIN2A
SCHEMBL21451907 0.86 HDAC4 (0.49) SCN9ASCN10AHDAC4GRIN1GRIN2A
SCHEMBL22731109 0.86 HDAC4 (0.49) SCN9ASCN10AHDAC4GRIN1GRIN2A
SCHEMBL21452238 0.84 DPP8 (0.37) SCN9ASCN10ADPP8DPP9RORC
SCHEMBL21452201 0.83 HDAC4 (0.41) SCN9ASCN10AHDAC4GRIN1GRIN2A
SCHEMBL21452447 0.81 PDE2A (0.43) RORCLMNAPOLB
SCHEMBL21452392 0.81 RORC (0.43) RORCGRIN1GRIN2AP2RX7PPIA
SCHEMBL21451917 0.80 GRIN1 (0.40) GRIN1GRIN2AGRIN2BLMNAP2RX7
SCHEMBL21452112 0.79 CYP2C19 (0.41) RORCLMNAP2RX7PPIACYP2C9
SCHEMBL21451950 0.79 HDAC4 (0.39) HDAC4DPP8DPP9RORCGRIN1

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 3167/4885SCN10A 2222/4885HDAC4 2874/4885

“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.