SCHEMBL548173

SCHEMBL548173

CCCCC(O)CC=C(C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
GPR84 Q9NQS5 5/20 0.38
NFKB1 P19838 2/20 0.36
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
FAAH O00519 2/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
Lactic Acid SCHEMBL339218 0.92 FFAR1 (0.38) CA2CA1FFAR1FFAR4GPR84
SCHEMBL548382 0.89 CHRM1 (0.31) CA2CA1FFAR1FFAR4NFKB1
SCHEMBL4061918 0.85 FFAR1 (0.41) CA2CA1FFAR1FFAR4GPR84
SCHEMBL613229 0.84 GPR84 (0.43) CA2FFAR1FFAR4GPR84NFKB1
SCHEMBL12076392 0.84 GPR84 (0.43) CA2FFAR1FFAR4GPR84NFKB1
Lactic Acid SCHEMBL339383 0.81 TP53 (0.35) FFAR1FFAR4GPR84FAAHSLC1A3
SCHEMBL547636 0.81 KDM4E (0.32)
SCHEMBL2338167 0.81 CA2 (0.43) CA2CA1MAPK1
SCHEMBL2338165 0.81 CA2 (0.43) CA2CA1MAPK1
SCHEMBL28615635 0.78 CA2 (0.37) CA2CA1ACHEBACE1MAPK1

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
US-8110220-B2 Temperature sensitive polymers UNIVERSITEIT UTRECHT (NL) 2012-02-07 US disclosed
EP-1776400-B1 TEMPERATURE SENSITIVE POLYMERS UNIVERSITEIT VAN UTRECHT (NL) 2009-12-23 EP disclosed
US-20080050435-A1 Temperature Sensitive Polymers CRISTAL DELIVERY B.V. (NL) 2008-02-28 US disclosed
EP-1776400-A2 TEMPERATURE SENSITIVE POLYMERS Universiteit van Utrecht (NL) 2007-04-25 EP disclosed
WO-2005087825-A2 TEMPERATURE SENSITIVE POLYMERS UNIVERSITEIT UTRECHT (NL) 2005-09-22 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-20080050435-A1 Temperature Sensitive Polymers LCT, LDHB, LDHA CA2 1269/4885CA1 1945/4885FFAR1 2669/4885

“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.