SCHEMBL2993072

SCHEMBL2993072

CCOC(=O)CC(N)c1ccc(OCC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
GRK2 P25098 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL2990030 0.95 PDE4A (0.51) MAPK1TSHRALDH1A1SMN1; SMN2PDE4A
Hydrochloric Acid SCHEMBL21494462 0.94 PDE4A (0.50) MAPK1TSHRALDH1A1SMN1; SMN2PDE4A
Hydrochloric Acid SCHEMBL30568374 0.94 PDE4A (0.50) MAPK1TSHRALDH1A1SMN1; SMN2PDE4A
Hydrochloric Acid SCHEMBL21494463 0.94 PDE4A (0.50) MAPK1TSHRALDH1A1SMN1; SMN2PDE4A
SCHEMBL5742697 0.93 ACHE (0.50) MAPK1ALDH1A1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL5896507 0.92 ACHE (0.49) MAPK1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL2993092 0.91 PDE4A (0.54) MAPK1TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL26922976 0.87 ALDH1A1 (0.49) MAPK1TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL23462724 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL2992087 0.86 ALDH1A1 (0.58) MAPK1TSHRALDH1A1SMN1; SMN2KMT2A

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 MAPK1 889/4885TSHR 1213/4885ALDH1A1 1039/4885

“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.