SCHEMBL6288771

SCHEMBL6288771

C=CCOC(=O)/C(C#N)=C\c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 2/20 0.51
PTP4A1 Q93096 2/20 0.51
ALDH1A1 P00352 9/20 0.48
MAPT P10636 8/20 0.48
ATM Q13315 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PTP4A2 Q12974 1/20 0.45
SLC16A1 P53985 1/20 0.44
POLB P06746 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
MIF P14174 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
STAT1 P42224 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
SCHEMBL6280784 1.00 PTP4A3 (0.51) PTP4A3PTP4A1ALDH1A1MAPTATM
SCHEMBL10521426 0.84 ALDH1A1 (0.66) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL4662622 0.84 ALDH1A1 (0.66) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL4662620 0.84 ALDH1A1 (0.66) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL14603500 0.80 POLB (0.47) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL29959844 0.80 POLB (0.64) ALDH1A1MAPTMEN1KMT2ASLC16A1
SCHEMBL7153194 0.80 PTP4A3 (0.63) PTP4A3PTP4A1ALDH1A1MAPTKMT2A
SCHEMBL7153196 0.80 PTP4A3 (0.63) PTP4A3PTP4A1ALDH1A1MAPTKMT2A
SCHEMBL13938656 0.80 POLB (0.64) ALDH1A1MAPTMEN1KMT2ASLC16A1
SCHEMBL4123656 0.80 POLB (0.64) ALDH1A1MAPTMEN1KMT2ASLC16A1

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
WO-2005123664-A2 PROCESSES FOR THE PREPARATION OF 2-CYANO-3-NAPHTHALENE-1-YL-ACRYLIC ACID ALKYL OR BENZYL ESTERS WYETH (US) 2005-12-29 WO disclosed
US-20050277784-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-acrylic acid alkyl or benzyl esters WYETH (US) 2005-12-15 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-20050277784-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-acrylic acid alkyl or benzyl esters TNF, ACACA, PCCA PTP4A3 2284/4885PTP4A1 2813/4885ALDH1A1 453/4885

“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.