SCHEMBL5477393

SCHEMBL5477393

C=C(C#N)C(=O)OCC=CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTP4A3 O75365 1/20 0.30
PTP4A1 Q93096 1/20 0.30

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
SCHEMBL1922593 0.87 ALDH1A1 (0.61) ALDH1A1TSHRTDP1MAPTRECQL
SCHEMBL1922594 0.87 ALDH1A1 (0.61) ALDH1A1TSHRTDP1MAPTRECQL
SCHEMBL4893994 0.80 TSHR (0.58) ALDH1A1TSHR
SCHEMBL3264357 0.80 ALDH1A1 (0.53) ALDH1A1TSHR
SCHEMBL11500859 0.80 ALDH1A1 (0.53) ALDH1A1TSHR
SCHEMBL4894000 0.80 TSHR (0.58) ALDH1A1TSHR
SCHEMBL7125436 0.79 ALDH1A1 (0.45) ALDH1A1TSHRMAPTPTP4A3PTP4A1
SCHEMBL29089162 0.79 TSHR (0.39) TSHRTDP1GABRR1GABRR2BLM
Fumaric Acid SCHEMBL11494667 0.79 ALDH1A1 (0.79) ALDH1A1TSHRTDP1MAPTSMN1; SMN2
Maleic Acid SCHEMBL11494666 0.79 ALDH1A1 (0.79) ALDH1A1TSHRTDP1MAPTSMN1; SMN2

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
CN-101420923-A Medical implant and fibrosis-inducing agent ANGIOTECH INT AG (CH) 2009-04-29 CN disclosed
CN-101227935-A Compositions and methods for treating diverticulum disease ANGIOTECH INT AG (CH) 2008-07-23 CN disclosed
US-20070092483-A1 Surgical adhesive compostion and process for enhanced tissue closure and healing POLLOCK POLYMER GROUP 2007-04-26 US disclosed
US-5350798-A Cyanoacrylate and oxalic acid polyester THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1994-09-27 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-20070092483-A1 Surgical adhesive compostion and process for enhanced tissue closure and healing MMP1, CTSF, OGFR ALDH1A1 1498/4885TSHR 3867/4885TDP1 1062/4885

“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.