SCHEMBL21452397

SCHEMBL21452397

Cc1ccccc1C1(NC(=O)OC(C)(C)C)CCCC(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDM1A O60341 6/20 0.36
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPIA P62937 1/20 0.34
GHSR Q92847 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
MAOB P27338 1/20 0.33
MAPK10 P53779 1/20 0.33
EPHX2 P34913 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
DRD2 P14416 2/20 0.32
DPP8 Q6V1X1 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
SCHEMBL30308935 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL30308923 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL19403831 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL16139862 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL30308882 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL16139853 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL20994020 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL22005157 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL30308920 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A
SCHEMBL30107902 0.88 GRIN1 (0.42) HDAC4DDB1CRBNKDM1AKMT2A

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 2874/4885DDB1 4837/4885CRBN 1390/4885

“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.