SCHEMBL2995642

SCHEMBL2995642

CCOc1cc(C(CCI)OC(=O)NC(C)(C)C)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
PDE4B Q07343 7/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 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
SCHEMBL2998886 0.90 LMNA (0.45) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL2987960 0.83 HPGD (0.52) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL2995445 0.73 HPGD (0.53) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL2998889 0.68 NPSR1 (0.51) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL3792356 0.67 NPSR1 (0.52) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL4818551 0.67 PPARG (0.51) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL28807841 0.67 HPGD (0.41) LMNASMN1; SMN2ALDH1A1
SCHEMBL3673327 0.67 HIF1A (0.59) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL4684868 0.67 HIF1A (0.59) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL1828546 0.67 SMN1; SMN2 (0.53) LMNAPDE4BPDE4APDE4CPDE4D

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 LMNA 3369/4885PDE4B 2498/4885PDE4A 2306/4885

“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.