SCHEMBL2990146

SCHEMBL2990146

CCOc1cc(C(N)CCO)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.46
PDE4B Q07343 8/20 0.46
PDE4C Q08493 8/20 0.46
PDE4D Q08499 8/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
TNF P01375 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HIF1A Q16665 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL1827890 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL2997838 0.94 MAPT (0.50) MAPK1ALDH1A1PPARGPPARDPPARA
SCHEMBL2999171 0.90 TP53 (0.47) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL7436426 0.89 PPARG (0.54) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL16865878 0.86 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL7099805 0.86 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL6423584 0.86 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL16865875 0.86 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL2995126 0.83 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL11982806 0.82 ALDH1A1 (0.47) 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 7 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
EP-0942902-A2 NOVEL IMMUNOTHERAPEUTIC IMIDES/AMIDES CELGENE CORPORATION (US) 1999-09-22 EP disclosed
WO-1998024763-A2 IMMUNOTHERAPEUTIC IMIDES/AMIDES AS PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-06-11 WO disclosed
US-5703098-A INHIBITORS OF CYTOKINES INCLUDING TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-30 US 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.