SCHEMBL21451897

SCHEMBL21451897

Cc1cccc(C2(NC(=O)OC(C)(C)C)CCCC(O)C2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
GPR119 Q8TDV5 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CCKBR P32239 1/20 0.35
GRM5 P41594 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL21452380 0.88 OPRM1 (0.39) GPR119DDB1CRBNNPC1RAB9A
SCHEMBL26451027 0.88 KMT2A (0.38) DDB1CRBNPSEN1PSEN2APH1B
SCHEMBL21452133 0.88 SLC6A4 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23490927 0.87 PSEN1 (0.35) GPR119DDB1CRBNNPC1RAB9A
SCHEMBL21452431 0.87 RXFP1 (0.39) GRM5NPSR1
SCHEMBL21452472 0.86 SIRT2 (0.39) DDB1CRBNGRM5KMT2A
SCHEMBL21452168 0.85 TAS1R3 (0.40) DDB1CRBNHCRTR1HCRTR2
SCHEMBL23490930 0.83 DDB1 (0.35) DDB1CRBNNPC1RAB9APSEN1
SCHEMBL21452370 0.82 HDAC4 (0.47) HDAC4GPR119MEN1KMT2APOLB
SCHEMBL21451912 0.82 LMNA (0.40) MEN1KMT2AL3MBTL1NPSR1LMNA

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 2874/4885GPR119 821/4885DDB1 4837/4885

“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.