SCHEMBL3225860

SCHEMBL3225860

COc1ccc(NCCC(=O)O)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
P2RX3 P56373 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PDE4B Q07343 1/20 0.42
NPC1 O15118 2/20 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
SCHEMBL3210474 0.89 POLB (0.58) POLBSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3209008 0.80 POLB (0.55) POLBSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL8154116 0.80 POLB (0.55) POLBSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3208022 0.80 POLB (0.55) POLBSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2676309 0.80 POLB (0.56) POLBSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3229859 0.80 MAPT (0.56) POLBSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3207404 0.75 POLB (0.54) POLBSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL9125657 0.73 ALDH1A1 (0.52) POLBSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL7212222 0.73 POLB (0.52) POLBLMNAALDH1A1MAPTMAPK1
SCHEMBL9831200 0.72 MAPT (0.53) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 POLB 2466/4885SMN1; SMN2 2069/4885LMNA 3369/4885

“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.