SCHEMBL21452401

SCHEMBL21452401

COc1cccc(C2(NC(=O)OC(C)(C)C)CCCCC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
ALDH1A1 P00352 3/20 0.40
PPIA P62937 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADAM17 P78536 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPT P10636 3/20 0.37

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
SCHEMBL21452426 0.89 GRIN1 (0.41) GRIN1GRIN2AGRIN2BALDH1A1PPIA
SCHEMBL21452167 0.88 HDAC3 (0.40) PPIAHDAC3HDAC1HDAC2HDAC6
SCHEMBL25382472 0.88 HDAC3 (0.40) PPIAHDAC3HDAC1HDAC2HDAC6
SCHEMBL21452370 0.86 HDAC4 (0.47) GRIN1GRIN2AGRIN2BPPIASLC6A4
SCHEMBL21452112 0.85 CYP2C19 (0.41) ALDH1A1PPIASLC6A2SLC6A4SLC6A3
SCHEMBL26451008 0.85 SLC6A4 (0.40) GRIN1GRIN2AGRIN2BPPIASLC6A4
SCHEMBL21452427 0.83 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPT
SCHEMBL21452429 0.83 KMT2A (0.48) ALDH1A1MEN1KMT2ATSHRTP53
SCHEMBL21452404 0.83 MEN1 (0.42) GRIN2BALDH1A1MEN1KMT2AADAM17
SCHEMBL21452133 0.83 SLC6A4 (0.41) ALDH1A1SLC22A1SLC6A2SLC6A4SLC6A3

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 GRIN1 1281/4885GRIN2A 3368/4885GRIN2B 2025/4885

“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.