SCHEMBL3966467

SCHEMBL3966467

O=C(O)CC(CC(=O)O)(CC(=O)O)C[C@@H]1CCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.56
PPARD Q03181 11/20 0.55
PPARA Q07869 5/20 0.48
PPARG P37231 1/20 0.47
LIPG Q9Y5X9 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL3961780 1.00 FFAR1 (0.56) FFAR1PPARDPPARAPPARGLIPG
SCHEMBL3962238 0.85 PPARD (0.74) FFAR1PPARDPPARAPPARG
SCHEMBL3962234 0.85 PPARD (0.74) FFAR1PPARDPPARAPPARG
SCHEMBL3965769 0.85 PPARD (0.74) FFAR1PPARDPPARAPPARG
SCHEMBL3451166 0.77 PPARD (0.69) FFAR1PPARDPPARA
SCHEMBL3964811 0.77 FFAR1 (0.63) FFAR1PPARDPPARAPPARGGRIN1
SCHEMBL3965085 0.76 GRIN1 (0.61) GRIN1GRIN2B
SCHEMBL3970687 0.76 GRIN1 (0.61) GRIN1GRIN2B
SCHEMBL1746466 0.76 GRIN1 (0.61) GRIN1GRIN2B
SCHEMBL9488813 0.75 FFAR1 (0.58) FFAR1PPARDLIPGGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R FFAR1 111/4885PPARD 88/4885PPARA 120/4885

“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.