SCHEMBL1974419

SCHEMBL1974419

CCC(C#CC(=O)O)CC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.32
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL10901253 0.86 CHRM1 (0.39) CA2MAPK1
SCHEMBL29211085 0.82
SCHEMBL8580273 0.81 GPR84 (0.42) CA2MAPK1
SCHEMBL1782251 0.77
SCHEMBL5201370 0.75
SCHEMBL16085875 0.73 GPR84 (0.37) FFAR3
SCHEMBL29211106 0.73 CHRM1 (0.41) CA2MAPK1
SCHEMBL27386281 0.72 CA2 (0.43) CA2MAPK1
SCHEMBL29211129 0.70 GPR84 (0.50)
SCHEMBL8971531 0.69 GPR84 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014070092-A1 FUNCTIONALIZED CELLULOSE NANOCRYSTALS, A METHOD FOR THE PREPARATION THEREOF AND USE OF FUNCTIONALIZED CELLULOSE NANOCRYSTALS IN COMPOSITES AND FOR GRAFTING SWETREE TECHNOLOGIES AB (SE) 2014-05-08 WO disclosed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed
EP-1388534-A2 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors Allergan, Inc. (US) 2004-02-11 EP disclosed
EP-1117628-B1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN INC (US) 2003-11-19 EP disclosed
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP disclosed
US-6403638-B1 COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME ALLERGAN SALES, INC. 2002-06-11 US disclosed
WO-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 WO disclosed
EP-1117628-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
US-6147224-A 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN SALES, INC. (US) 2000-11-14 US disclosed
WO-2000020370-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 FFAR3 829/4885CA2 4511/4885MAPK1 2115/4885

“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.