SCHEMBL21452472

SCHEMBL21452472

CC(C)(C)OC(=O)NC1(c2cccc(C#N)c2)CCCC(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
GRM5 P41594 2/20 0.36
DRD2 P14416 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CNR2 P34972 1/20 0.35
RORC P51449 3/20 0.35
HSD11B1 P28845 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
ABCB1 P08183 3/20 0.34
NLRP3 Q96P20 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL21452019 0.88 DRD2 (0.36) DRD2KDM4DABCB1
SCHEMBL21451897 0.86 HDAC4 (0.39) GRM5DDB1CRBNKMT2A
SCHEMBL21452380 0.85 OPRM1 (0.39) GRM5SLC6A4RORCDDB1CRBN
SCHEMBL26451027 0.84 KMT2A (0.38) RORCDDB1CRBNKMT2A
SCHEMBL21452133 0.84 SLC6A4 (0.41) SLC6A2SLC6A4KMT2A
SCHEMBL25381871 0.84 SIRT2 (0.38) SIRT2SIRT1DRD2KDM4DSLC6A2
SCHEMBL21452492 0.84 SIRT2 (0.38) SIRT2SIRT1DRD2KDM4DSLC6A2
SCHEMBL31426669 0.84 SIRT2 (0.38) SIRT2SIRT1DRD2KDM4DSLC6A2
SCHEMBL21452431 0.83 RXFP1 (0.39) GRM5SLC6A4CNR2
SCHEMBL21452014 0.83 CYP11B2 (0.39) DRD2KDM4DABCB1

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 SIRT2 4229/4885SIRT1 3033/4885GRM5 1579/4885

“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.