SCHEMBL4128844

SCHEMBL4128844

CCOC(=O)c1ccc(CCCC(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 3/20 0.50
HSD17B10 Q99714 1/20 0.50
NAMPT P43490 1/20 0.49
CYP4A11 Q02928 3/20 0.49
CYP4F2 P78329 2/20 0.49
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48

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
SCHEMBL7482018 0.90 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL10586967 0.87 HSD17B10 (0.63) CA12CA1CA2CA7CA9
SCHEMBL9045556 0.86 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL570747 0.85 ESR1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL9043852 0.84 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL12199135 0.84 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL24811745 0.84 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3049924 0.83 CYP4A11 (0.70) CA12CA1CA2CA7CA9
SCHEMBL10610630 0.83 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL570964 0.83 RARB (0.58) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3786619-A1 COMPOUNDS FOR LABELING AMINE-CONTAINING COMPOUNDS, AND THEIR USE Agilent Technologies, Inc. (US) 2021-03-03 EP disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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 (2 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CA12 4392/4885CA1 4516/4885CA2 2821/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CA12 4392/4885CA1 4516/4885CA2 2821/4885

“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.