SCHEMBL4901564

SCHEMBL4901564

CC(=O)OC=C(C#N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 10/20 0.43
MAPT P10636 7/20 0.43
RAB9A P51151 4/20 0.43
MAPK1 P28482 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.40
ELANE P08246 1/20 0.40
CES2 O00748 1/20 0.38

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
SCHEMBL12449495 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL4901552 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL14177041 0.83 NPSR1 (0.42) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL13994700 0.83 MAPT (0.41) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL20108920 0.82 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL14606186 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL9409169 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL9409165 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL14156028 0.76 CES2 (0.46) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL14156176 0.76 RAB9A (0.47) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 EP disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 US disclosed
EP-1791901-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-06-06 EP disclosed
WO-2006024611-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 WO 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-20080269382-A1 Stabilization of Organic Materials LPO, PPOX, HMOX1 SMN1; SMN2 954/4885ALDH1A1 129/4885MAPT 128/4885

“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.