SCHEMBL2993092

SCHEMBL2993092

CCOc1ccc(C(N)CC(=O)OC)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.54
PDE4B Q07343 5/20 0.54
PDE4C Q08493 5/20 0.54
PDE4D Q08499 5/20 0.54
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TNF P01375 4/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
PAX8 Q06710 1/20 0.46
HIF1A Q16665 1/20 0.45

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
SCHEMBL2995776 0.95 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL3558885 0.95 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL21494483 0.95 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL30568367 0.95 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL30568373 0.95 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL21494477 0.93 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL30568368 0.93 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL21494486 0.93 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL30568376 0.93 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL7746561 0.93 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 PDE4A 2306/4885PDE4B 2498/4885PDE4C 2510/4885

“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.