SCHEMBL21494493

SCHEMBL21494493

CCOc1cc([C@H](N)CC(=O)O)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.59
PDE4B Q07343 4/20 0.59
PDE4C Q08493 4/20 0.59
PDE4D Q08499 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TNF P01375 2/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL21494482 1.00 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL2989854 1.00 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL21494466 0.99 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL23000633 0.99 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL21494464 0.99 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL2992087 0.94 ALDH1A1 (0.58) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6693234 0.93 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL28323446 0.92 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4671897 0.90 ACHE (0.59) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL2991798 0.90 ACHE (0.59) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767295-B2 Isoindole derivative TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2023-09-26 US disclosed
US-20210155590-A1 ISOINDOLE DERIVATIVE TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2021-05-27 US disclosed
EP-3782983-A1 ISOINDOLE DERIVATIVE Tianjin Hemay Pharmaceutical Co., Ltd. (CN) 2021-02-24 EP disclosed
CN-110386893-A Isoindole derivatives 天津合美医药科技有限公司 2019-10-29 CN disclosed
WO-2019201255-A1 ISOINDOLE DERIVATIVE 天津合美医药科技有限公司 2019-10-24 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 (2 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-11767295-B2 Isoindole derivative COX4I1, ALDH1A2, GDI2 PDE4A 1740/4885PDE4B 1378/4885PDE4C 2317/4885
US-20210155590-A1 ISOINDOLE DERIVATIVE COX4I1, ALDH1A2, GDI2 PDE4A 1740/4885PDE4B 1378/4885PDE4C 2317/4885

“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.