SCHEMBL21451908

SCHEMBL21451908

CC(C)(C)OC(=O)NC1(c2ccccc2C(F)(F)F)CCCC(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HDAC4 P56524 1/20 0.40
SCN9A Q15858 5/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
KDM1A O60341 3/20 0.34
P2RX7 Q99572 1/20 0.34
PDK2 Q15119 1/20 0.33
CYP3A4 P08684 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
HCRTR1 O43613 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL22727639 1.00 LMNA (0.42) LMNAPOLBHDAC4SCN9ADDB1
SCHEMBL21452452 0.91 LMNA (0.38) LMNAPOLBHDAC4SCN9ADDB1
SCHEMBL21452238 0.87 DPP8 (0.37) LMNAPOLBSCN9AP2RX7PDK2
SCHEMBL21452397 0.86 HDAC4 (0.37) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL16139862 0.85 GRIN1 (0.42) LMNAHDAC4DDB1CRBNKDM1A
SCHEMBL22005157 0.85 GRIN1 (0.42) LMNAHDAC4DDB1CRBNKDM1A
SCHEMBL19403831 0.85 GRIN1 (0.42) LMNAHDAC4DDB1CRBNKDM1A
SCHEMBL20994020 0.85 GRIN1 (0.42) LMNAHDAC4DDB1CRBNKDM1A
SCHEMBL16139853 0.85 GRIN1 (0.42) LMNAHDAC4DDB1CRBNKDM1A
SCHEMBL30308920 0.85 GRIN1 (0.42) LMNAHDAC4DDB1CRBNKDM1A

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 LMNA 3431/4885POLB 4108/4885HDAC4 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.