SCHEMBL3208116

SCHEMBL3208116

CCCCC(C=C(C#N)C(=O)O)CCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34
SLC16A3 O15427 3/20 0.34
SLC16A1 P53985 3/20 0.34
CISD1 Q9NZ45 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
GPR35 Q9HC97 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL18606218 0.86 KDM4E (0.35) POLBSLC16A3SLC16A1CISD1KDM4E
SCHEMBL540777 0.85 TSHR (0.39) POLBTSHRSMN1; SMN2SLC16A3SLC16A1
SCHEMBL1275723 0.81 POLB (0.39) POLBTSHRCA2MAPK1CTSS
SCHEMBL1274455 0.78 KDM4E (0.39) SLC16A3SLC16A1CISD1KDM4EALDH1A1
SCHEMBL1275305 0.77 KDM4E (0.37) POLBSLC16A3SLC16A1CISD1KDM4E
SCHEMBL15673367 0.77 EP300 (0.42) TSHRSMN1; SMN2CA2MAPK1
SCHEMBL18556754 0.76 ZDHHC7 (0.41) POLBSMN1; SMN2KDM4ECYP3A4HPGD
SCHEMBL530510 0.75 ACE2 (0.41) POLB
SCHEMBL15283996 0.75 TSHR (0.41) TSHRSMN1; SMN2CA2MAPK1CTSK
SCHEMBL5555506 0.75 POLB (0.35) POLBSMN1; SMN2CTSSCTSKSLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035997-A1 KIT FOR APPLYING A POLYMERIZABLE ADHESIVE COMPOSITION TO TISSUES BROADLEY KENNETH N 2010-02-11 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-20100035997-A1 KIT FOR APPLYING A POLYMERIZABLE ADHESIVE COMPOSITION TO TISSUES KIT, TEKT1, CUTA POLB 1476/4885TSHR 3738/4885SMN1; SMN2 4645/4885

“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.