SCHEMBL21451907

SCHEMBL21451907

CC(C)(C)OC(=O)NC1(c2ccccc2C(F)(F)F)CCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
SLC6A4 P31645 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
OPRK1 P41145 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
OPRM1 P35372 1/20 0.41
GRIN2B Q13224 1/20 0.41
CACNA1C Q13936 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SCN9A Q15858 2/20 0.38
CYP3A4 P08684 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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 1.00 HDAC4 (0.49) HDAC4LMNAPOLBSLC6A4GRIN1
SCHEMBL22727301 1.00 HDAC4 (0.49) HDAC4LMNAPOLBSLC6A4GRIN1
SCHEMBL21452201 0.90 HDAC4 (0.41) HDAC4LMNAPOLBSLC6A4GRIN1
SCHEMBL21452533 0.86 SCN9A (0.39) HDAC4LMNAPOLBGRIN1GRIN2A
SCHEMBL21452396 0.85 HDAC4 (0.46) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL19400501 0.84 GRIN1 (0.61) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL19400462 0.84 GRIN1 (0.61) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL30308901 0.84 GRIN1 (0.61) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL19688879 0.84 GRIN1 (0.61) HDAC4LMNASLC6A4GRIN1GRIN2A
SCHEMBL30308938 0.84 GRIN1 (0.61) HDAC4LMNASLC6A4GRIN1GRIN2A

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.