SCHEMBL17208145

SCHEMBL17208145

C=C(C(C)C)C1CCn2c(C(=O)c3ccccc3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.70
CDC42 P60953 3/20 0.70
RAC1 P63000 3/20 0.70
PTGS1 P23219 2/20 0.70
PAK1 Q13153 2/20 0.70
NPC1 O15118 1/20 0.70
CHRM3 P20309 1/20 0.70
OPRM1 P35372 1/20 0.70
RAB9A P51151 1/20 0.70
LMNA P02545 2/20 0.58
CYP1A2 P05177 2/20 0.58
ABCC4 O15439 1/20 0.58
HTT P42858 1/20 0.58
BLM P54132 1/20 0.58
NFKB1 P19838 1/20 0.58
MAPK1 P28482 1/20 0.58
CA4 P22748 5/20 0.52
CA9 Q16790 4/20 0.52
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52

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
SCHEMBL13875295 0.87 PTGS2 (0.73) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL26234550 0.87 PTGS2 (0.51) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL24807886 0.86 PTGS2 (0.75) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL18133558 0.85 PTGS2 (0.79) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL12286244 0.83 PTGS2 (0.79) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL14891 0.83 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL14892 0.83 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL4103 0.83 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL23466702 0.83 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL2221913 0.82 PTGS2 (0.92) PTGS2CDC42RAC1PTGS1PAK1

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-20150306232-A1 HYDROGELATORS COMPRISING D-AMINO ACIDS BRANDEIS UNIVERSITY 2015-10-29 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-20150306232-A1 HYDROGELATORS COMPRISING D-AMINO ACIDS DNPEP, S100A10, S100A11 PTGS2 622/4885CDC42 1164/4885RAC1 4216/4885

“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.